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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (7)transporters (1) Show 8 proteins XML

enzymes (7)transporters (1) Show 8 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:51 UTC

Update Date

2023-02-21 17:18:25 UTC

HMDB ID

HMDB0015177

Secondary Accession Numbers

HMDB15177

Metabolite Identification

Common Name

Memantine

Description

Memantine is an amantadine derivative with low to moderate-affinity for NMDA receptors. It is a noncompetitive NMDA receptor antagonist that binds preferentially to NMDA receptor-operated cation channels. It blocks the effects of excessive levels of glutamate that may lead to neuronal dysfunction. It is under investigation for the treatment of Alzheimer's disease, but there has been no clinical support for the prevention or slowing of disease progression.

Structure

MOL 3D MOL SDF 3D SDF PDB 3D PDB SMILES InChI

HMDB0015177
     RDKit          3D
Memantine
 34 36  0  0  0  0  0  0  0  0999 V2000
   -2.1150   -1.9304   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391   -0.8993    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -0.7696    1.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    0.2907    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.1411    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.3050   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527   -0.7278   -1.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.3513   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    0.9630   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401    1.4460   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    2.6604   -0.9277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    1.6197    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    0.4272   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3786   -1.8361   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -2.9725   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441   -1.7366    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.5660    2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -1.7272    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    0.4570    2.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699   -1.0871    1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    0.6195    1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -1.4920   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.1446   -1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.1350   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -2.2516   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.6456   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    0.6713   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.7343   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    3.4664   -0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    2.4967   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2645    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    2.1488    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    0.7640    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0812    0.4003   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  8  2  1  0
 13  2  1  0
 12  4  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

HMDB0015177
     RDKit          3D
Memantine
 34 36  0  0  0  0  0  0  0  0999 V2000
   -2.1150   -1.9304   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391   -0.8993    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -0.7696    1.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    0.2907    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.1411    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.3050   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527   -0.7278   -1.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.3513   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    0.9630   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401    1.4460   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    2.6604   -0.9277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    1.6197    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    0.4272   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3786   -1.8361   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -2.9725   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441   -1.7366    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.5660    2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -1.7272    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    0.4570    2.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699   -1.0871    1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    0.6195    1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -1.4920   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.1446   -1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.1350   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -2.2516   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.6456   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    0.6713   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.7343   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    3.4664   -0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    2.4967   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2645    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    2.1488    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    0.7640    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0812    0.4003   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  8  2  1  0
 13  2  1  0
 12  4  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 1043                                              
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  N   UNK     0       4.671  -2.799   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       5.754   1.718   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.444  -0.551   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.671  -1.232   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.064  -0.551   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.444   0.962   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.671   0.405   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       3.133  -1.307   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.064   0.962   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.754  -1.025   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.090  -1.979   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.754   3.285   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.336   0.557   0.000  0.00  0.00           C+0
CONECT    1    4                                                            
CONECT    2    6    7    9   12                                             
CONECT    3    6    8   10   13                                             
CONECT    4    1    7    8   11                                             
CONECT    5    9   10   11                                                  
CONECT    6    2    3                                                       
CONECT    7    2    4                                                       
CONECT    8    3    4                                                       
CONECT    9    2    5                                                       
CONECT   10    3    5                                                       
CONECT   11    4    5                                                       
CONECT   12    2                                                            
CONECT   13    3                                                            
MASTER        0    0    0    0    0    0    0    0   13    0   30    0
END

COMPND    HMDB0015177
HETATM    1  C1  UNL     1      -2.115  -1.930  -0.170  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.039  -0.899   0.089  1.00  0.00           C  
HETATM    3  C3  UNL     1      -0.714  -0.770   1.562  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.338   0.291   1.704  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.607  -0.141   0.992  1.00  0.00           C  
HETATM    6  C6  UNL     1       1.301  -0.305  -0.469  1.00  0.00           C  
HETATM    7  C7  UNL     1       2.553  -0.728  -1.172  1.00  0.00           C  
HETATM    8  C8  UNL     1       0.206  -1.351  -0.613  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.760   0.963  -1.086  1.00  0.00           C  
HETATM   10  C10 UNL     1      -0.440   1.446  -0.327  1.00  0.00           C  
HETATM   11  N1  UNL     1      -0.903   2.660  -0.928  1.00  0.00           N  
HETATM   12  C11 UNL     1      -0.066   1.620   1.130  1.00  0.00           C  
HETATM   13  C12 UNL     1      -1.553   0.427  -0.382  1.00  0.00           C  
HETATM   14  H1  UNL     1      -2.379  -1.836  -1.252  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.748  -2.973  -0.040  1.00  0.00           H  
HETATM   16  H3  UNL     1      -3.044  -1.737   0.401  1.00  0.00           H  
HETATM   17  H4  UNL     1      -1.589  -0.566   2.185  1.00  0.00           H  
HETATM   18  H5  UNL     1      -0.272  -1.727   1.882  1.00  0.00           H  
HETATM   19  H6  UNL     1       0.576   0.457   2.778  1.00  0.00           H  
HETATM   20  H7  UNL     1       1.970  -1.087   1.395  1.00  0.00           H  
HETATM   21  H8  UNL     1       2.401   0.620   1.119  1.00  0.00           H  
HETATM   22  H9  UNL     1       3.069  -1.492  -0.532  1.00  0.00           H  
HETATM   23  H10 UNL     1       3.249   0.145  -1.188  1.00  0.00           H  
HETATM   24  H11 UNL     1       2.398  -1.135  -2.179  1.00  0.00           H  
HETATM   25  H12 UNL     1       0.580  -2.252  -0.061  1.00  0.00           H  
HETATM   26  H13 UNL     1       0.031  -1.646  -1.656  1.00  0.00           H  
HETATM   27  H14 UNL     1       0.400   0.671  -2.115  1.00  0.00           H  
HETATM   28  H15 UNL     1       1.525   1.734  -1.170  1.00  0.00           H  
HETATM   29  H16 UNL     1      -0.979   3.466  -0.285  1.00  0.00           H  
HETATM   30  H17 UNL     1      -1.747   2.497  -1.510  1.00  0.00           H  
HETATM   31  H18 UNL     1       0.850   2.265   1.141  1.00  0.00           H  
HETATM   32  H19 UNL     1      -0.830   2.149   1.715  1.00  0.00           H  
HETATM   33  H20 UNL     1      -2.313   0.764   0.382  1.00  0.00           H  
HETATM   34  H21 UNL     1      -2.081   0.400  -1.340  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    8   13
CONECT    3    4   17   18
CONECT    4    5   12   19
CONECT    5    6   20   21
CONECT    6    7    8    9
CONECT    7   22   23   24
CONECT    8   25   26
CONECT    9   10   27   28
CONECT   10   11   12   13
CONECT   11   29   30
CONECT   12   31   32
CONECT   13   33   34
END

HMDB0015177
     RDKit          3D
Memantine
 34 36  0  0  0  0  0  0  0  0999 V2000
   -2.1150   -1.9304   -0.1702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0391   -0.8993    0.0894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137   -0.7696    1.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3377    0.2907    1.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6070   -0.1411    0.9922 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3010   -0.3050   -0.4688 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5527   -0.7278   -1.1716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2064   -1.3513   -0.6134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7601    0.9630   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4401    1.4460   -0.3274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9031    2.6604   -0.9277 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0662    1.6197    1.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5527    0.4272   -0.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3786   -1.8361   -1.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7484   -2.9725   -0.0397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0441   -1.7366    0.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -0.5660    2.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2722   -1.7272    1.8816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758    0.4570    2.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9699   -1.0871    1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    0.6195    1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0691   -1.4920   -0.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486    0.1446   -1.1879 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3978   -1.1350   -2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5795   -2.2516   -0.0614 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0310   -1.6456   -1.6556 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3997    0.6713   -2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    1.7343   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    3.4664   -0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468    2.4967   -1.5100 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8495    2.2645    1.1413 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8299    2.1488    1.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3128    0.7640    0.3818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0812    0.4003   -1.3401 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  6  9  1  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 10 13  1  0
  8  2  1  0
 13  2  1  0
 12  4  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
  4 19  1  0
  5 20  1  0
  5 21  1  0
  7 22  1  0
  7 23  1  0
  7 24  1  0
  8 25  1  0
  8 26  1  0
  9 27  1  0
  9 28  1  0
 11 29  1  0
 11 30  1  0
 12 31  1  0
 12 32  1  0
 13 33  1  0
 13 34  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
1,3-Dimethyl-5-adamantanamine	ChEBI
1-Amino-3,5-dimethyladamantane	ChEBI
3,5-Dimethyl-1-adamantanamine	ChEBI
3,5-Dimethyl-1-aminoadamantane	ChEBI
3,5-Dimethyltricyclo(3.3.1.1(3,7))decan-1-amine	ChEBI
Memantina	ChEBI
Memantinum	ChEBI
Exiba	Kegg
Axura	HMDB
Lundbeck brand OF memantine hydrochloride	HMDB
Merz brand OF memantine hydrochloride	HMDB
Ebixa	HMDB
Memantin	HMDB
Memantine hydrochloride	HMDB
Namenda	HMDB
1,3-Dimethyl-5-aminoadamantane	HMDB

Chemical Formula

C₁₂H₂₁N

Average Molecular Weight

179.3018

Monoisotopic Molecular Weight

179.167399677

IUPAC Name

3,5-dimethyladamantan-1-amine

Traditional Name

memantine

CAS Registry Number

19982-08-2

SMILES

CC12CC3CC(C)(C1)CC(N)(C3)C2

InChI Identifier

InChI=1S/C12H21N/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8,13H2,1-2H3

InChI Key

BUGYDGFZZOZRHP-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.

Kingdom

Organic compounds

Super Class

Organic nitrogen compounds

Class

Organonitrogen compounds

Sub Class

Amines

Direct Parent

Monoalkylamines

Alternative Parents

Substituents

Organopnictogen compound
Hydrocarbon derivative
Primary aliphatic amine
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

adamantanes (CHEBI:64312 )
primary aliphatic amine (CHEBI:64312 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0015177)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Excreta

Biofluid or Excreta

Urine (PMID: 21059682)

Process

Not Available

Role

Biological role

Dopaminergic agent (HMDB: HMDB0015177)
NMDA receptor antagonist (HMDB: HMDB0015177)

Industrial application

Manufacturing industry

Material processing agent

Coloring agent

Fluorescent agent

Antidepressant (HMDB: HMDB0015177)

Pharmaceutical industry

Antiparkinson drug (HMDB: HMDB0015177)

Neuroprotective agent (HMDB: HMDB0015177)

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	258 °C (hydrochloride salt)	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.046 g/L	Not Available
LogP	3.5	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	146.6	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.046 g/L	ALOGPS
logP	3.31	ALOGPS
logP	2.07	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Basic)	10.7	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	26.02 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	54.49 m³·mol⁻¹	ChemAxon
Polarizability	21.82 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Predicted Chromatographic Properties

Predicted Collision Cross Sections

Predictor	Adduct Type	CCS Value (Å²)	Reference
DarkChem	[M+H]+	142.674	31661259
DarkChem	[M-H]-	136.624	31661259
DeepCCS	[M-2H]-	181.612	30932474
DeepCCS	[M+Na]+	156.829	30932474
AllCCS	[M+H]+	141.5	32859911
AllCCS	[M+H-H2O]+	137.5	32859911
AllCCS	[M+NH4]+	145.2	32859911
AllCCS	[M+Na]+	146.3	32859911
AllCCS	[M-H]-	146.2	32859911
AllCCS	[M+Na-2H]-	146.8	32859911
AllCCS	[M+HCOO]-	147.5	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Memantine	CC12CC3CC(C)(C1)CC(N)(C3)C2	1656.0	Standard polar	33892256
Memantine	CC12CC3CC(C)(C1)CC(N)(C3)C2	1338.0	Standard non polar	33892256
Memantine	CC12CC3CC(C)(C1)CC(N)(C3)C2	1292.3	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Memantine,1TMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C)(C3)C2	1522.1	Semi standard non polar	33892256
Memantine,1TMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C)(C3)C2	1543.7	Standard non polar	33892256
Memantine,1TMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C)(C3)C2	1919.7	Standard polar	33892256
Memantine,2TMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C)[Si](C)(C)C)(C3)C2	1686.2	Semi standard non polar	33892256
Memantine,2TMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C)[Si](C)(C)C)(C3)C2	1785.4	Standard non polar	33892256
Memantine,2TMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C)[Si](C)(C)C)(C3)C2	1914.7	Standard polar	33892256
Memantine,1TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C(C)(C)C)(C3)C2	1796.7	Semi standard non polar	33892256
Memantine,1TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C(C)(C)C)(C3)C2	1733.5	Standard non polar	33892256
Memantine,1TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N[Si](C)(C)C(C)(C)C)(C3)C2	2076.4	Standard polar	33892256
Memantine,2TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C3)C2	2164.0	Semi standard non polar	33892256
Memantine,2TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C3)C2	2171.1	Standard non polar	33892256
Memantine,2TBDMS,isomer #1	CC12CC3CC(C)(C1)CC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)(C3)C2	2136.9	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Memantine GC-MS (Non-derivatized) - 70eV, Positive	splash10-03fr-0900000000-4db94b4b87705e834d5d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Memantine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-03e9-0900000000-65172d14e0f6b9102d73	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-03di-0900000000-ce475f103d528ff4d342	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-03di-0900000000-1c9199c5cf1c902223ae	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-08fr-0900000000-1bac817f714e7eec7488	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-0a4i-2900000000-eb58e236084a93a3d37b	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-0a4i-4900000000-5a87d54400c3e9720ad0	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-052f-9500000000-95eb2b63a2392449ec4a	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-0006-9100000000-608b372857aacd60eb61	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-00kf-9000000000-f283a81168372575c2aa	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine LC-ESI-QFT , positive-QTOF	splash10-03di-0900000000-bbf1127413d0f995a000	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 20V, Positive-QTOF	splash10-08fr-1900000000-af0d7a2139a4f0101029	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 120V, Positive-QTOF	splash10-052f-9500000000-7d8b0b05d4e422cf43ff	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 90V, Positive-QTOF	splash10-0a4i-4900000000-c38a0c0bf1d221876255	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 40V, Positive-QTOF	splash10-052f-9400000000-b9b0845988ac96d13655	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 150V, Positive-QTOF	splash10-0006-9100000000-c0a9196c8aea3bbc9ba5	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 50V, Positive-QTOF	splash10-044i-0900000000-dbaa35eb2bd2e8a926ee	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 40V, Positive-QTOF	splash10-03di-0900000000-fe3a10c3c4ef737f6317	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 35V, Positive-QTOF	splash10-08fr-0900000000-31518410ee334d4b0e50	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Memantine 10V, Positive-QTOF	splash10-03e9-0900000000-d6a33792b66ebc7fcaa5	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 10V, Positive-QTOF	splash10-01q9-0900000000-d5fdfd99bc401e75f44d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 20V, Positive-QTOF	splash10-01q9-0900000000-8e06cea62d1b5b2287fd	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 40V, Positive-QTOF	splash10-03di-0900000000-07e8313e47d270feab02	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 10V, Negative-QTOF	splash10-004i-0900000000-8a0b61ba65a9638329fb	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 20V, Negative-QTOF	splash10-004i-0900000000-242508d651dfd0b38ea8	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Memantine 40V, Negative-QTOF	splash10-01t9-0900000000-710a53b2a03cd1789d69	2016-08-03	Wishart Lab	View Spectrum

IR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)	2023-02-03	FELIX lab	View Spectrum
Predicted IR Spectrum	IR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)	2023-02-03	FELIX lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Not Available

Name	SMPDB/PathBank	KEGG

Normal Concentrations

Biospecimen	Status	Value	Age	Sex	Condition	Reference	Details
Blood	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB01043	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB01043	21059682	details

Abnormal Concentrations

Not Available

Predicted Concentrations

Biospecimen	Value	Original age	Original sex	Original condition	Comments
Blood	0.000 uM	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities
Blood	0.000 umol/mmol creatinine	Adult (>18 years old)	Both	Normal	Predicted based on drug qualities

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB01043

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

3914

KEGG Compound ID

C13736

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Memantine

METLIN ID

Not Available

PubChem Compound

4054

PDB ID

Not Available

ChEBI ID

64312

Food Biomarker Ontology

Not Available

VMH ID

Not Available

MarkerDB ID

Not Available

Good Scents ID

Not Available

References

Synthesis Reference

Not Available

Material Safety Data Sheet (MSDS)

Not Available

General References

Rammes G, Rupprecht R, Ferrari U, Zieglgansberger W, Parsons CG: The N-methyl-D-aspartate receptor channel blockers memantine, MRZ 2/579 and other amino-alkyl-cyclohexanes antagonise 5-HT(3) receptor currents in cultured HEK-293 and N1E-115 cell systems in a non-competitive manner. Neurosci Lett. 2001 Jun 22;306(1-2):81-4. [PubMed:11403963 ]
Rogawski MA, Wenk GL: The neuropharmacological basis for the use of memantine in the treatment of Alzheimer's disease. CNS Drug Rev. 2003 Fall;9(3):275-308. [PubMed:14530799 ]
Cacabelos R, Takeda M, Winblad B: The glutamatergic system and neurodegeneration in dementia: preventive strategies in Alzheimer's disease. Int J Geriatr Psychiatry. 1999 Jan;14(1):3-47. [PubMed:10029935 ]
Rogawski MA: Low affinity channel blocking (uncompetitive) NMDA receptor antagonists as therapeutic agents--toward an understanding of their favorable tolerability. Amino Acids. 2000;19(1):133-49. [PubMed:11026482 ]
Robinson DM, Keating GM: Memantine: a review of its use in Alzheimer's disease. Drugs. 2006;66(11):1515-34. [PubMed:16906789 ]

Enzymes

Enzyme Details

1. Cytochrome P450 2C19

General function:: Involved in monooxygenase activity
Specific function:: Responsible for the metabolism of a number of therapeutic agents such as the anticonvulsant drug S-mephenytoin, omeprazole, proguanil, certain barbiturates, diazepam, propranolol, citalopram and imipramine.
Gene Name:: CYP2C19
Uniprot ID:: P33261
Molecular weight:: 55944.565

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

2. Cytochrome P450 2B6

General function:: Involved in monooxygenase activity
Specific function:: Cytochromes P450 are a group of heme-thiolate monooxygenases. In liver microsomes, this enzyme is involved in an NADPH-dependent electron transport pathway. It oxidizes a variety of structurally unrelated compounds, including steroids, fatty acids, and xenobiotics. Acts as a 1,4-cineole 2-exo-monooxygenase.
Gene Name:: CYP2B6
Uniprot ID:: P20813
Molecular weight:: 56277.81

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

3. Cytochrome P450 2A6

General function:: Involved in monooxygenase activity
Specific function:: Exhibits a high coumarin 7-hydroxylase activity. Can act in the hydroxylation of the anti-cancer drugs cyclophosphamide and ifosphamide. Competent in the metabolic activation of aflatoxin B1. Constitutes the major nicotine C-oxidase. Acts as a 1,4-cineole 2-exo-monooxygenase. Possesses low phenacetin O-deethylation activity.
Gene Name:: CYP2A6
Uniprot ID:: P11509
Molecular weight:: 56517.005

References

Preissner S, Kroll K, Dunkel M, Senger C, Goldsobel G, Kuzman D, Guenther S, Winnenburg R, Schroeder M, Preissner R: SuperCYP: a comprehensive database on Cytochrome P450 enzymes including a tool for analysis of CYP-drug interactions. Nucleic Acids Res. 2010 Jan;38(Database issue):D237-43. doi: 10.1093/nar/gkp970. Epub 2009 Nov 24. [PubMed:19934256 ]

Enzyme Details

4. Glutamate [NMDA] receptor subunit epsilon-1

General function:: Involved in ionotropic glutamate receptor activity
Specific function:: NMDA receptor subtype of glutamate-gated ion channels possesses high calcium permeability and voltage-dependent sensitivity to magnesium. Activation requires binding of agonist to both types of subunits
Gene Name:: GRIN2A
Uniprot ID:: Q12879
Molecular weight:: 165281.2

References

Chen HS, Lipton SA: Pharmacological implications of two distinct mechanisms of interaction of memantine with N-methyl-D-aspartate-gated channels. J Pharmacol Exp Ther. 2005 Sep;314(3):961-71. Epub 2005 May 18. [PubMed:15901795 ]
Maler JM, Esselmann H, Wiltfang J, Kunz N, Lewczuk P, Reulbach U, Bleich S, Ruther E, Kornhuber J: Memantine inhibits ethanol-induced NMDA receptor up-regulation in rat hippocampal neurons. Brain Res. 2005 Aug 9;1052(2):156-62. [PubMed:16009352 ]
Bresink I, Benke TA, Collett VJ, Seal AJ, Parsons CG, Henley JM, Collingridge GL: Effects of memantine on recombinant rat NMDA receptors expressed in HEK 293 cells. Br J Pharmacol. 1996 Sep;119(2):195-204. [PubMed:8886398 ]
Blanpied TA, Boeckman FA, Aizenman E, Johnson JW: Trapping channel block of NMDA-activated responses by amantadine and memantine. J Neurophysiol. 1997 Jan;77(1):309-23. [PubMed:9120573 ]
Rogawski MA, Wenk GL: The neuropharmacological basis for the use of memantine in the treatment of Alzheimer's disease. CNS Drug Rev. 2003 Fall;9(3):275-308. [PubMed:14530799 ]

Enzyme Details

5. Glutamate [NMDA] receptor subunit epsilon-2

General function:: Involved in ionotropic glutamate receptor activity
Specific function:: NMDA receptor subtype of glutamate-gated ion channels with high calcium permeability and voltage-dependent sensitivity to magnesium. Mediated by glycine
Gene Name:: GRIN2B
Uniprot ID:: Q13224
Molecular weight:: 166365.9

References

Kashiwagi K, Masuko T, Nguyen CD, Kuno T, Tanaka I, Igarashi K, Williams K: Channel blockers acting at N-methyl-D-aspartate receptors: differential effects of mutations in the vestibule and ion channel pore. Mol Pharmacol. 2002 Mar;61(3):533-45. [PubMed:11854433 ]
Nakazato E, Kato A, Watanabe S: Brain but not spinal NR2B receptor is responsible for the anti-allodynic effect of an NR2B subunit-selective antagonist CP-101,606 in a rat chronic constriction injury model. Pharmacology. 2005 Jan;73(1):8-14. Epub 2004 Sep 27. [PubMed:15452358 ]
Maler JM, Esselmann H, Wiltfang J, Kunz N, Lewczuk P, Reulbach U, Bleich S, Ruther E, Kornhuber J: Memantine inhibits ethanol-induced NMDA receptor up-regulation in rat hippocampal neurons. Brain Res. 2005 Aug 9;1052(2):156-62. [PubMed:16009352 ]
Blanpied TA, Boeckman FA, Aizenman E, Johnson JW: Trapping channel block of NMDA-activated responses by amantadine and memantine. J Neurophysiol. 1997 Jan;77(1):309-23. [PubMed:9120573 ]
Rogawski MA, Wenk GL: The neuropharmacological basis for the use of memantine in the treatment of Alzheimer's disease. CNS Drug Rev. 2003 Fall;9(3):275-308. [PubMed:14530799 ]

Enzyme Details

6. 5-hydroxytryptamine receptor 3A

General function:: Involved in extracellular ligand-gated ion channel activity
Specific function:: This is one of the several different receptors for 5- hydroxytryptamine (serotonin), a biogenic hormone that functions as a neurotransmitter, a hormone, and a mitogen. This receptor is a ligand-gated ion channel, which when activated causes fast, depolarizing responses in neurons. It is a cation-specific, but otherwise relatively nonselective, ion channel
Gene Name:: HTR3A
Uniprot ID:: P46098
Molecular weight:: 55279.8

References

Rammes G, Rupprecht R, Ferrari U, Zieglgansberger W, Parsons CG: The N-methyl-D-aspartate receptor channel blockers memantine, MRZ 2/579 and other amino-alkyl-cyclohexanes antagonise 5-HT(3) receptor currents in cultured HEK-293 and N1E-115 cell systems in a non-competitive manner. Neurosci Lett. 2001 Jun 22;306(1-2):81-4. [PubMed:11403963 ]

Enzyme Details

7. Glutamate [NMDA] receptor subunit 3A

General function:: Involved in ionotropic glutamate receptor activity
Specific function:: NMDA receptor subtype of glutamate-gated ion channels with reduced single-channel conductance, low calcium permeability and low voltage-dependent sensitivity to magnesium. Mediated by glycine. May play a role in the development of dendritic spines. May play a role in PPP2CB-NMDAR mediated signaling mechanism
Gene Name:: GRIN3A
Uniprot ID:: Q8TCU5
Molecular weight:: 125464.1

References

Smothers CT, Woodward JJ: Pharmacological characterization of glycine-activated currents in HEK 293 cells expressing N-methyl-D-aspartate NR1 and NR3 subunits. J Pharmacol Exp Ther. 2007 Aug;322(2):739-48. Epub 2007 May 14. [PubMed:17502428 ]
Chatterton JE, Awobuluyi M, Premkumar LS, Takahashi H, Talantova M, Shin Y, Cui J, Tu S, Sevarino KA, Nakanishi N, Tong G, Lipton SA, Zhang D: Excitatory glycine receptors containing the NR3 family of NMDA receptor subunits. Nature. 2002 Feb 14;415(6873):793-8. Epub 2002 Jan 30. [PubMed:11823786 ]
Schrattenholz A, Soskic V: NMDA receptors are not alone: dynamic regulation of NMDA receptor structure and function by neuregulins and transient cholesterol-rich membrane domains leads to disease-specific nuances of glutamate-signalling. Curr Top Med Chem. 2006;6(7):663-86. [PubMed:16719808 ]
Foster AC, Kemp JA: Glutamate- and GABA-based CNS therapeutics. Curr Opin Pharmacol. 2006 Feb;6(1):7-17. Epub 2005 Dec 22. [PubMed:16377242 ]
Rogawski MA, Wenk GL: The neuropharmacological basis for the use of memantine in the treatment of Alzheimer's disease. CNS Drug Rev. 2003 Fall;9(3):275-308. [PubMed:14530799 ]

Transporters

Enzyme Details

1. Solute carrier family 22 member 2

General function:: Involved in ion transmembrane transporter activity
Specific function:: Mediates tubular uptake of organic compounds from circulation. Mediates the influx of agmatine, dopamine, noradrenaline (norepinephrine), serotonin, choline, famotidine, ranitidine, histamin, creatinine, amantadine, memantine, acriflavine, 4-[4-(dimethylamino)-styryl]-N-methylpyridinium ASP, amiloride, metformin, N-1-methylnicotinamide (NMN), tetraethylammonium (TEA), 1-methyl-4-phenylpyridinium (MPP), cimetidine, cisplatin and oxaliplatin. Cisplatin may develop a nephrotoxic action. Transport of creatinine is inhibited by fluoroquinolones such as DX-619 and LVFX. This transporter is a major determinant of the anticancer activity of oxaliplatin and may contribute to antitumor specificity
Gene Name:: SLC22A2
Uniprot ID:: O15244
Molecular weight:: 62564.0

References

Busch AE, Karbach U, Miska D, Gorboulev V, Akhoundova A, Volk C, Arndt P, Ulzheimer JC, Sonders MS, Baumann C, Waldegger S, Lang F, Koepsell H: Human neurons express the polyspecific cation transporter hOCT2, which translocates monoamine neurotransmitters, amantadine, and memantine. Mol Pharmacol. 1998 Aug;54(2):342-52. [PubMed:9687576 ]

Showing metabocard for Memantine (HMDB0015177)

MOL for HMDB0015177 (Memantine)

3D MOL for HMDB0015177 (Memantine)

3D SDF for HMDB0015177 (Memantine)

3D-SDF for HMDB0015177 (Memantine)

PDB for HMDB0015177 (Memantine)

3D PDB for HMDB0015177 (Memantine)

SMILES for HMDB0015177 (Memantine)

INCHI for HMDB0015177 (Memantine)

Structure for HMDB0015177 (Memantine)

3D Structure for HMDB0015177 (Memantine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

IR Spectra

Enzymes

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Transporters

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