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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (2) Show 2 proteins XML

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:52 UTC

Update Date

2022-03-07 02:52:03 UTC

HMDB ID

HMDB0015639

Secondary Accession Numbers

HMDB15639

Metabolite Identification

Common Name

Mepyramine

Description

Mepyramine, also known as pyranisamine or anthisan, belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group. However, it rapidly permeates the brain and so often causes drowsiness as a side effect. Mepyramine is a very strong basic compound (based on its pKa). In humans, mepyramine is involved in mepyramine h1-antihistamine action. The signs and symptoms that are produced after the acute overdosage of Mepyramine include Convulsions, Coma, Ataxia, Hyperpyrexia, Tremor, Extrapyramidal effects, Excitement. Mepyramine is a histamine H1 receptor inverse agonist. It is a first generation antihistamine. It binds to a G protein-coupled form of the receptor and promotes a G protein-coupled inactive state of the H1 receptor that interferes with the Gq/11-mediated signaling. Mepyramine competes with histamine for binding at H1-receptor sites on the effector cell surface, resulting in suppression of histaminic edema, flare, and pruritus. It has been found in over-the-counter combination products for colds and menstrual symptoms, but is considered to be an unapproved prescription medication used for cough, cold, or allergic conditions. The sedative properties of Mepyramine occur at the subcortical level of the CNS. Mepyramine, or pyrilamine, targets the H1 receptor.

Structure

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

HMDB0015639
     RDKit          3D
Mepyramine
 44 45  0  0  0  0  0  0  0  0999 V2000
    5.8060   -2.4994   -1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041   -1.7355   -1.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -1.2815   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.5342   -1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.0505   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -0.3156    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    0.1458    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    0.5075    1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -0.4662    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484    0.1598   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561   -0.7942   -0.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -1.1898   -2.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160   -1.9892   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.8205    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    2.7730    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    4.0838    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230    4.3874    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    3.4220    2.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    2.1808    2.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -1.0662    1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496   -1.5479    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -3.5786   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6196   -2.4092   -2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2219   -2.1344   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581   -0.3189   -2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    0.5278   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281    1.0142    2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526   -0.5946    2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687   -0.9477   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888   -1.2188    1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159    0.5229    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106    1.0490   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.3480   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.9837   -1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579   -1.7084   -2.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -1.8233    0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -2.2844   -0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -2.8534   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836    2.5869   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    4.8205   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893    5.3978    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216    3.7158    3.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.3066    2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   -2.1351    0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 19 14  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  7 27  1  0
  7 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  0
 21 44  1  0
M  END


  Mrv0541 04191212182D          
 
 21 22  0  0  0  0            999 V2000
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4445   -2.4659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1564   -2.0489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511   -1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4341   -0.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7222   -1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7274   -2.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0052   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7118    0.4170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7171    0.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4393    1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1511    1.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1459    0.3989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408    0.4260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1355    1.2510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    0.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8734   -2.4569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5853   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -0.0090    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7222    1.2329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  8  1  1  0  0  0  0
  1  9  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 15  1  0  0  0  0
 11 21  1  0  0  0  0
 11 20  2  0  0  0  0
 21 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 18 19  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0015639

> <DATABASE_NAME>
hmdb

> <SMILES>
COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

> <INCHI_KEY>
YECBIJXISLIIDS-UHFFFAOYSA-N

> <FORMULA>
C17H23N3O

> <MOLECULAR_WEIGHT>
285.384

> <EXACT_MASS>
285.184112373

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
32.89269379092978

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

> <ALOGPS_LOGP>
2.89

> <JCHEM_LOGP>
3.043521151666666

> <ALOGPS_LOGS>
-2.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA_STRONGEST_BASIC>
8.76397449417684

> <JCHEM_POLAR_SURFACE_AREA>
28.6

> <JCHEM_REFRACTIVITY>
87.73810000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
7.81e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
mepyramine

> <JCHEM_VEBER_RULE>
1

$$$$

HMDB0015639
     RDKit          3D
Mepyramine
 44 45  0  0  0  0  0  0  0  0999 V2000
    5.8060   -2.4994   -1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041   -1.7355   -1.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -1.2815   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.5342   -1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.0505   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -0.3156    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    0.1458    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    0.5075    1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -0.4662    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484    0.1598   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561   -0.7942   -0.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -1.1898   -2.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160   -1.9892   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.8205    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    2.7730    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    4.0838    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230    4.3874    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    3.4220    2.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    2.1808    2.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -1.0662    1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496   -1.5479    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -3.5786   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6196   -2.4092   -2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2219   -2.1344   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581   -0.3189   -2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    0.5278   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281    1.0142    2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526   -0.5946    2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687   -0.9477   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888   -1.2188    1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159    0.5229    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106    1.0490   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.3480   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.9837   -1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579   -1.7084   -2.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -1.8233    0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -2.2844   -0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -2.8534   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836    2.5869   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    4.8205   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893    5.3978    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216    3.7158    3.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.3066    2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   -2.1351    0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 19 14  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  7 27  1  0
  7 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  0
 21 44  1  0
M  END

HEADER    PROTEIN                                 19-APR-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-APR-12         0                                  
HETATM    1  N   UNK     0       0.000   0.000   0.000  0.00  0.00           N+0
HETATM    2  C   UNK     0       2.696  -4.603   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.025  -3.825   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.015  -2.285   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.677  -1.523   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.348  -2.301   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       1.358  -3.841   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.010  -1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.329   0.778   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.667   0.017   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.339   0.762   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.687   3.063   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.015   2.285   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.006   0.745   0.000  0.00  0.00           C+0
HETATM   15  N   UNK     0       3.996   0.795   0.000  0.00  0.00           N+0
HETATM   16  C   UNK     0       3.986   2.335   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   0.034   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.364  -4.586   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       6.693  -3.808   0.000  0.00  0.00           C+0
HETATM   20  N   UNK     0      -2.667  -0.017   0.000  0.00  0.00           N+0
HETATM   21  C   UNK     0      -1.348   2.301   0.000  0.00  0.00           C+0
CONECT    1    8    9   11                                                  
CONECT    2    3    7                                                       
CONECT    3    2    4   18                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    2    6                                                       
CONECT    8    1    6                                                       
CONECT    9    1   10                                                       
CONECT   10    9   15                                                       
CONECT   11    1   21   20                                                  
CONECT   12   21   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   20                                                       
CONECT   15   10   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15                                                            
CONECT   18    3   19                                                       
CONECT   19   18                                                            
CONECT   20   11   14                                                       
CONECT   21   11   12                                                       
MASTER        0    0    0    0    0    0    0    0   21    0   44    0
END

COMPND    HMDB0015639
HETATM    1  C1  UNL     1       5.806  -2.499  -1.490  1.00  0.00           C  
HETATM    2  O1  UNL     1       4.704  -1.736  -1.874  1.00  0.00           O  
HETATM    3  C2  UNL     1       3.724  -1.281  -1.002  1.00  0.00           C  
HETATM    4  C3  UNL     1       2.684  -0.534  -1.505  1.00  0.00           C  
HETATM    5  C4  UNL     1       1.668  -0.051  -0.668  1.00  0.00           C  
HETATM    6  C5  UNL     1       1.694  -0.316   0.672  1.00  0.00           C  
HETATM    7  C6  UNL     1       0.675   0.146   1.605  1.00  0.00           C  
HETATM    8  N1  UNL     1      -0.591   0.507   1.037  1.00  0.00           N  
HETATM    9  C7  UNL     1      -1.367  -0.466   0.320  1.00  0.00           C  
HETATM   10  C8  UNL     1      -2.648   0.160  -0.190  1.00  0.00           C  
HETATM   11  N2  UNL     1      -3.456  -0.794  -0.917  1.00  0.00           N  
HETATM   12  C9  UNL     1      -2.842  -1.190  -2.167  1.00  0.00           C  
HETATM   13  C10 UNL     1      -3.716  -1.989  -0.159  1.00  0.00           C  
HETATM   14  C11 UNL     1      -1.079   1.820   1.203  1.00  0.00           C  
HETATM   15  C12 UNL     1      -0.781   2.773   0.263  1.00  0.00           C  
HETATM   16  C13 UNL     1      -1.256   4.084   0.409  1.00  0.00           C  
HETATM   17  C14 UNL     1      -2.023   4.387   1.513  1.00  0.00           C  
HETATM   18  C15 UNL     1      -2.316   3.422   2.450  1.00  0.00           C  
HETATM   19  N3  UNL     1      -1.839   2.181   2.267  1.00  0.00           N  
HETATM   20  C16 UNL     1       2.743  -1.066   1.165  1.00  0.00           C  
HETATM   21  C17 UNL     1       3.750  -1.548   0.350  1.00  0.00           C  
HETATM   22  H1  UNL     1       5.552  -3.579  -1.380  1.00  0.00           H  
HETATM   23  H2  UNL     1       6.620  -2.409  -2.247  1.00  0.00           H  
HETATM   24  H3  UNL     1       6.222  -2.134  -0.519  1.00  0.00           H  
HETATM   25  H4  UNL     1       2.658  -0.319  -2.579  1.00  0.00           H  
HETATM   26  H5  UNL     1       0.880   0.528  -1.092  1.00  0.00           H  
HETATM   27  H6  UNL     1       1.128   1.014   2.180  1.00  0.00           H  
HETATM   28  H7  UNL     1       0.453  -0.595   2.413  1.00  0.00           H  
HETATM   29  H8  UNL     1      -0.869  -0.948  -0.525  1.00  0.00           H  
HETATM   30  H9  UNL     1      -1.689  -1.219   1.083  1.00  0.00           H  
HETATM   31  H10 UNL     1      -3.216   0.523   0.688  1.00  0.00           H  
HETATM   32  H11 UNL     1      -2.411   1.049  -0.806  1.00  0.00           H  
HETATM   33  H12 UNL     1      -2.448  -0.348  -2.752  1.00  0.00           H  
HETATM   34  H13 UNL     1      -2.085  -1.984  -1.974  1.00  0.00           H  
HETATM   35  H14 UNL     1      -3.658  -1.708  -2.750  1.00  0.00           H  
HETATM   36  H15 UNL     1      -3.663  -1.823   0.936  1.00  0.00           H  
HETATM   37  H16 UNL     1      -4.781  -2.284  -0.394  1.00  0.00           H  
HETATM   38  H17 UNL     1      -3.098  -2.853  -0.486  1.00  0.00           H  
HETATM   39  H18 UNL     1      -0.184   2.587  -0.622  1.00  0.00           H  
HETATM   40  H19 UNL     1      -1.016   4.821  -0.334  1.00  0.00           H  
HETATM   41  H20 UNL     1      -2.389   5.398   1.627  1.00  0.00           H  
HETATM   42  H21 UNL     1      -2.922   3.716   3.295  1.00  0.00           H  
HETATM   43  H22 UNL     1       2.810  -1.307   2.231  1.00  0.00           H  
HETATM   44  H23 UNL     1       4.573  -2.135   0.727  1.00  0.00           H  
CONECT    1    2   22   23   24
CONECT    2    3
CONECT    3    4    4   21
CONECT    4    5   25
CONECT    5    6    6   26
CONECT    6    7   20
CONECT    7    8   27   28
CONECT    8    9   14
CONECT    9   10   29   30
CONECT   10   11   31   32
CONECT   11   12   13
CONECT   12   33   34   35
CONECT   13   36   37   38
CONECT   14   15   15   19
CONECT   15   16   39
CONECT   16   17   17   40
CONECT   17   18   41
CONECT   18   19   19   42
CONECT   20   21   21   43
CONECT   21   44
END

HMDB0015639
     RDKit          3D
Mepyramine
 44 45  0  0  0  0  0  0  0  0999 V2000
    5.8060   -2.4994   -1.4901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7041   -1.7355   -1.8740 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7245   -1.2815   -1.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6841   -0.5342   -1.5049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678   -0.0505   -0.6679 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6939   -0.3156    0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6749    0.1458    1.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5912    0.5075    1.0367 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3667   -0.4662    0.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6484    0.1598   -0.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561   -0.7942   -0.9168 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -1.1898   -2.1669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7160   -1.9892   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794    1.8205    1.2025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7814    2.7730    0.2630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2559    4.0838    0.4095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0230    4.3874    1.5126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3162    3.4220    2.4502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    2.1808    2.2665 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7428   -1.0662    1.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7496   -1.5479    0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5517   -3.5786   -1.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6196   -2.4092   -2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2219   -2.1344   -0.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6581   -0.3189   -2.5788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8800    0.5278   -1.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281    1.0142    2.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4526   -0.5946    2.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8687   -0.9477   -0.5252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6888   -1.2188    1.0827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2159    0.5229    0.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106    1.0490   -0.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4483   -0.3480   -2.7519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0855   -1.9837   -1.9740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6579   -1.7084   -2.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6630   -1.8233    0.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7807   -2.2844   -0.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0977   -2.8534   -0.4863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836    2.5869   -0.6218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0158    4.8205   -0.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893    5.3978    1.6265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9216    3.7158    3.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8101   -1.3066    2.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725   -2.1351    0.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
  6 20  1  0
 20 21  2  0
 21  3  1  0
 19 14  1  0
  1 22  1  0
  1 23  1  0
  1 24  1  0
  4 25  1  0
  5 26  1  0
  7 27  1  0
  7 28  1  0
  9 29  1  0
  9 30  1  0
 10 31  1  0
 10 32  1  0
 12 33  1  0
 12 34  1  0
 12 35  1  0
 13 36  1  0
 13 37  1  0
 13 38  1  0
 15 39  1  0
 16 40  1  0
 17 41  1  0
 18 42  1  0
 20 43  1  0
 21 44  1  0
M  END

View in JSmol View Stereo Labels

Synonyms

Value	Source
N',n'-dimethyl-N-(p-methoxybenzyl)-N-(2-pyridyl)ethylenediamine	ChEBI
N-(p-Methoxybenzyl)-n',n'-dimethyl-N-(alpha-pyridyl)ethylenediamine	ChEBI
N-[(4-Methoxyphenyl)methyl]-n',n'-dimethyl-N-2-pyridinyl-1,2-ethanediamine	ChEBI
Pyranisamine	ChEBI
Pyrilamine	ChEBI
N-(p-Methoxybenzyl)-n',n'-dimethyl-N-(a-pyridyl)ethylenediamine	Generator
N-(p-Methoxybenzyl)-n',n'-dimethyl-N-(α-pyridyl)ethylenediamine	Generator
Mepyramine maleate	HMDB
Anthisan	HMDB
Boots brand OF mepyramine maleate	HMDB
Pyrilamine maleate	HMDB
Boots bite and sting relief	HMDB
Maleate, mepyramine	HMDB
Maleate, pyrilamine	HMDB
Kriptin	HMDB

Chemical Formula

C₁₇H₂₃N₃O

Average Molecular Weight

285.384

Monoisotopic Molecular Weight

285.184112373

IUPAC Name

N-[2-(dimethylamino)ethyl]-N-[(4-methoxyphenyl)methyl]pyridin-2-amine

Traditional Name

mepyramine

CAS Registry Number

91-84-9

SMILES

COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1

InChI Identifier

InChI=1S/C17H23N3O/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h4-11H,12-14H2,1-3H3

InChI Key

YECBIJXISLIIDS-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-benzylaminopyridines. These are aromatic compounds containing pyridine ring substituted at the 2-position by a benzylamine group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Benzylamines

Direct Parent

2-benzylaminopyridines

Alternative Parents

Substituents

2-benzylaminopyridine
Phenoxy compound
Anisole
Methoxybenzene
Dialkylarylamine
Phenol ether
Alkyl aryl ether
Aminopyridine
Imidolactam
Pyridine
Heteroaromatic compound
Tertiary aliphatic amine
Tertiary amine
Ether
Azacycle
Organoheterocyclic compound
Organic nitrogen compound
Organooxygen compound
Organonitrogen compound
Hydrocarbon derivative
Organopnictogen compound
Organic oxygen compound
Amine
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

aromatic ether (CHEBI:6762 )
ethylenediamine derivative (CHEBI:6762 )

Ontology

Not Available

Urine (PMID: 21059682)

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 21059682)

Cellular substructure

Membrane (HMDB: HMDB0015639)

Process

Naturally occurring process

Biological process

Biochemical pathway

Drug action pathway

Mepyramine H1-Antihistamine Action (PathBank: SMP0057583)

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	0.78 g/L	Not Available
LogP	Not Available	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	169.6	30932474
[M+H]+	Not Available	168.137	http://allccs.zhulab.cn/database/detail?ID=AllCCS00000802

Predicted Molecular Properties

Property	Value	Source
Water Solubility	0.78 g/L	ALOGPS
logP	2.89	ALOGPS
logP	3.04	ChemAxon
logS	-2.6	ALOGPS
pKa (Strongest Basic)	8.76	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	28.6 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	87.74 m³·mol⁻¹	ChemAxon
Polarizability	32.89 Å³	ChemAxon
Number of Rings	2	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]+	167.737	31661259
DarkChem	[M-H]-	172.821	31661259
DeepCCS	[M+H]+	172.165	30932474
DeepCCS	[M-H]-	169.807	30932474
DeepCCS	[M-2H]-	202.693	30932474
DeepCCS	[M+Na]+	178.258	30932474
AllCCS	[M+H]+	168.7	32859911
AllCCS	[M+H-H2O]+	165.3	32859911
AllCCS	[M+NH4]+	171.9	32859911
AllCCS	[M+Na]+	172.9	32859911
AllCCS	[M-H]-	174.6	32859911
AllCCS	[M+Na-2H]-	174.7	32859911
AllCCS	[M+HCOO]-	174.9	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Mepyramine	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1	3125.1	Standard polar	33892256
Mepyramine	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1	2263.1	Standard non polar	33892256
Mepyramine	COC1=CC=C(CN(CCN(C)C)C2=NC=CC=C2)C=C1	2212.2	Semi standard non polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Predicted GC-MS	Predicted GC-MS Spectrum - Mepyramine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0a4i-9230000000-eda35975a1b57899320d	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mepyramine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Mepyramine 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 - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-0076-0290000000-f68a382a2e28b5f2b1fb	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-0930000000-a4aabde6bd23d5631e8d	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-0900000000-0461973c5b6a31124ad2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-0900000000-5803a397af45d47e559f	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-1900000000-005c71fce551a8ce71a9	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-2900000000-fbd3ea6b25f6238e4903	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QTOF , positive-QTOF	splash10-000i-0090000000-7580edc933e367e03bd4	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QTOF , positive-QTOF	splash10-00di-0920000000-116fdb01e72f6eed832c	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QTOF , positive-QTOF	splash10-00di-0900000000-d384a4904e9cf89d30a8	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QTOF , positive-QTOF	splash10-00di-1900000000-760bc84c56f7512a6a55	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QTOF , positive-QTOF	splash10-00fr-7900000000-8873262b3e31b11b3ccc	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-1900000000-c9b1c86211e3b0d8e024	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-5900000000-30296f89ac06c75ba738	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-0076-0390000000-3af09900aa13a2ca6791	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-0930000000-b947fc17f6a8ca5aa2c2	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine LC-ESI-QFT , positive-QTOF	splash10-00di-0900000000-debdce4be33f8a51cd66	2017-09-14	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine 50V, Positive-QTOF	splash10-00fr-7900000000-8873262b3e31b11b3ccc	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine 40V, Positive-QTOF	splash10-00di-1900000000-760bc84c56f7512a6a55	2021-09-20	HMDB team, MONA	View Spectrum
Experimental LC-MS/MS	LC-MS/MS Spectrum - Mepyramine 30V, Positive-QTOF	splash10-00di-0900000000-d384a4904e9cf89d30a8	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 10V, Positive-QTOF	splash10-000i-2090000000-b844dce88f074a5c3020	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 20V, Positive-QTOF	splash10-00dl-6190000000-b35fea8e7bef8107896a	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 40V, Positive-QTOF	splash10-00di-9720000000-7d6671705a8df0e0070c	2016-08-01	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 10V, Negative-QTOF	splash10-001i-0090000000-75c8425220c3023e9e7c	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 20V, Negative-QTOF	splash10-01q9-0290000000-626cedd9c3a8dbe6dfbe	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Mepyramine 40V, Negative-QTOF	splash10-0002-3920000000-9dd843413cd8a667e02d	2016-08-03	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Not Available

Pathways

Name	SMPDB/PathBank	KEGG
Mepyramine H1-Antihistamine Action		Not Available

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 DB06691	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB06691	21059682	details

Abnormal Concentrations

Not Available

Associated Disorders and Diseases

Disease References

None

Associated OMIM IDs

None

External Links

DrugBank ID

DB06691

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4818

KEGG Compound ID

C11798

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Pyrilamine

METLIN ID

Not Available

PubChem Compound

4992

PDB ID

Not Available

ChEBI ID

6762

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

Not Available

Enzymes

Enzyme Details

1. Cytochrome P450 2D6

General function:: Involved in monooxygenase activity
Specific function:: Responsible for the metabolism of many drugs and environmental chemicals that it oxidizes. It is involved in the metabolism of drugs such as antiarrhythmics, adrenoceptor antagonists, and tricyclic antidepressants.
Gene Name:: CYP2D6
Uniprot ID:: P10635
Molecular weight:: 55768.94

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. Histamine H1 receptor

General function:: Involved in G-protein coupled receptor protein signaling pathway
Specific function:: In peripheral tissues, the H1 subclass of histamine receptors mediates the contraction of smooth muscles, increase in capillary permeability due to contraction of terminal venules, and catecholamine release from adrenal medulla, as well as mediating neurotransmission in the central nervous system
Gene Name:: HRH1
Uniprot ID:: P35367
Molecular weight:: 55783.6

References

Moriyama K, Liu J, Jang Y, Chae YJ, Wang Y, Mitchell J, Grond S, Han X, Xing Y, Xie GX, Pierce Palmer P: Receptor mediation and nociceptin inhibition of bradykinin-induced plasma extravasation in the knee joint of the rat. Inflamm Res. 2009 Dec;58(12):873-80. doi: 10.1007/s00011-009-0058-y. Epub 2009 Jun 21. [PubMed:19544046 ]
Chhabria MT, Patel VT, Rajan KS, Brahmkshatriya PS: Design, synthesis and histamine H1-receptor antagonistic activity of some novel 4-amino-2-(substituted)-5-(substituted) aryl-6-[(substituted aryl) amino] pyrimidines. Arzneimittelforschung. 2009;59(5):243-7. [PubMed:19537525 ]
Mojtahedin A, Tamaddonfard E, Zanboori A: Antinociception induced by central administration of histamine in the formalin test in rats. Indian J Physiol Pharmacol. 2008 Jul-Sep;52(3):249-54. [PubMed:19552055 ]
Parsons ME, Ganellin CR: Histamine and its receptors. Br J Pharmacol. 2006 Jan;147 Suppl 1:S127-35. [PubMed:16402096 ]
Snowman AM, Snyder SH: Cetirizine: actions on neurotransmitter receptors. J Allergy Clin Immunol. 1990 Dec;86(6 Pt 2):1025-8. [PubMed:1979798 ]

Showing metabocard for Mepyramine (HMDB0015639)

MOL for HMDB0015639 (Mepyramine)

3D MOL for HMDB0015639 (Mepyramine)

3D SDF for HMDB0015639 (Mepyramine)

3D-SDF for HMDB0015639 (Mepyramine)

PDB for HMDB0015639 (Mepyramine)

3D PDB for HMDB0015639 (Mepyramine)

SMILES for HMDB0015639 (Mepyramine)

INCHI for HMDB0015639 (Mepyramine)

Structure for HMDB0015639 (Mepyramine)

3D Structure for HMDB0015639 (Mepyramine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

GC-MS Spectra

MS/MS Spectra

Enzymes

References

References