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Identification Taxonomy Ontology Physical properties Spectra Biological properties Concentrations Links References enzymes (1)transporters (1) Show 2 proteins XML

enzymes (1)transporters (1) Show 2 proteins

Record Information

Version

5.0

Status

Expected but not Quantified

Creation Date

2012-09-06 15:16:50 UTC

Update Date

2021-09-14 15:19:52 UTC

HMDB ID

HMDB0014968

Secondary Accession Numbers

HMDB14968

Metabolite Identification

Common Name

Phenmetrazine

Description

Phenmetrazine is only found in individuals that have used or taken this drug. It is a sympathomimetic drug used primarily as an appetite depressant. Its actions and mechanisms are similar to dextroamphetamine. [PubChem]Phenmetrazine is thought to block the reuptake of norepinephrine and dopamine into the presynaptic neuron leading to an increase in the release of these monoamines into the extraneuronal space. Dopamine integrates incoming sensory stimuli, initiates and controls fine movement (nigro-neostriatal pathway), controls emotional behavior (midbrain mesolimbic-forebrain system) and controls hypothalamic-pituitary endocrine system (tubero-infundibular system). It is this latter effect on the tubero-infundibular systm that seems to lead to reduced food intake. Phenmetrazine also acts as a monoamine oxidase inhibitor.

Structure

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

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: 830                                               
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  O   UNK     0       8.415   0.862   0.000  0.00  0.00           O+0
HETATM    2  N   UNK     0       8.415  -2.218   0.000  0.00  0.00           N+0
HETATM    3  C   UNK     0       7.081  -1.448   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.081   0.092   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.748  -1.448   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.748   0.092   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.748   0.862   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.748  -2.218   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.414   0.092   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.748   2.402   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.080   0.862   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.414   3.172   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.080   2.402   0.000  0.00  0.00           C+0
CONECT    1    4    6                                                       
CONECT    2    3    5                                                       
CONECT    3    2    4    8                                                  
CONECT    4    1    3    7                                                  
CONECT    5    2    6                                                       
CONECT    6    1    5                                                       
CONECT    7    4    9   10                                                  
CONECT    8    3                                                            
CONECT    9    7   11                                                       
CONECT   10    7   12                                                       
CONECT   11    9   13                                                       
CONECT   12   10   13                                                       
CONECT   13   11   12                                                       
MASTER        0    0    0    0    0    0    0    0   13    0   28    0
END

COMPND    HMDB0014968
HETATM    1  C1  UNL     1      -1.973   1.842   0.139  1.00  0.00           C  
HETATM    2  C2  UNL     1      -1.173   0.571   0.470  1.00  0.00           C  
HETATM    3  N1  UNL     1      -2.106  -0.345   1.059  1.00  0.00           N  
HETATM    4  C3  UNL     1      -2.689  -1.131  -0.024  1.00  0.00           C  
HETATM    5  C4  UNL     1      -1.519  -1.963  -0.542  1.00  0.00           C  
HETATM    6  O1  UNL     1      -0.658  -1.145  -1.176  1.00  0.00           O  
HETATM    7  C5  UNL     1      -0.413   0.081  -0.688  1.00  0.00           C  
HETATM    8  C6  UNL     1       1.060   0.169  -0.376  1.00  0.00           C  
HETATM    9  C7  UNL     1       1.821   1.262  -0.726  1.00  0.00           C  
HETATM   10  C8  UNL     1       3.166   1.302  -0.422  1.00  0.00           C  
HETATM   11  C9  UNL     1       3.792   0.267   0.234  1.00  0.00           C  
HETATM   12  C10 UNL     1       3.047  -0.835   0.593  1.00  0.00           C  
HETATM   13  C11 UNL     1       1.707  -0.852   0.278  1.00  0.00           C  
HETATM   14  H1  UNL     1      -2.546   1.699  -0.805  1.00  0.00           H  
HETATM   15  H2  UNL     1      -1.274   2.718   0.062  1.00  0.00           H  
HETATM   16  H3  UNL     1      -2.670   2.009   0.987  1.00  0.00           H  
HETATM   17  H4  UNL     1      -0.489   0.899   1.309  1.00  0.00           H  
HETATM   18  H5  UNL     1      -1.539  -1.038   1.626  1.00  0.00           H  
HETATM   19  H6  UNL     1      -3.473  -1.809   0.327  1.00  0.00           H  
HETATM   20  H7  UNL     1      -3.012  -0.480  -0.867  1.00  0.00           H  
HETATM   21  H8  UNL     1      -1.124  -2.547   0.303  1.00  0.00           H  
HETATM   22  H9  UNL     1      -1.916  -2.723  -1.272  1.00  0.00           H  
HETATM   23  H10 UNL     1      -0.554   0.823  -1.532  1.00  0.00           H  
HETATM   24  H11 UNL     1       1.315   2.082  -1.249  1.00  0.00           H  
HETATM   25  H12 UNL     1       3.738   2.179  -0.712  1.00  0.00           H  
HETATM   26  H13 UNL     1       4.853   0.345   0.452  1.00  0.00           H  
HETATM   27  H14 UNL     1       3.517  -1.667   1.112  1.00  0.00           H  
HETATM   28  H15 UNL     1       1.112  -1.714   0.556  1.00  0.00           H  
CONECT    1    2   14   15   16
CONECT    2    3    7   17
CONECT    3    4   18
CONECT    4    5   19   20
CONECT    5    6   21   22
CONECT    6    7
CONECT    7    8   23
CONECT    8    9    9   13
CONECT    9   10   24
CONECT   10   11   11   25
CONECT   11   12   26
CONECT   12   13   13   27
CONECT   13   28
END

View in JSmol View NMR Assignments View Stereo Labels

Synonyms

Value	Source
2-Phenyl-3-methylmorpholine	ChEBI
3-Methyl-2-phenylmorpholine	HMDB
Defenmetrazin	HMDB
Dexphenmetrazine	HMDB
Fenmetrazin	HMDB
Oxazimedrine	HMDB
USAF ge-1	HMDB
Hydrochloride, phenmetrazine	HMDB
Phenmetraline	HMDB
Phenmetrazine hydrochloride	HMDB
Preludin	HMDB

Chemical Formula

C₁₁H₁₅NO

Average Molecular Weight

177.2429

Monoisotopic Molecular Weight

177.115364107

IUPAC Name

3-methyl-2-phenylmorpholine

Traditional Name

phenmetrazine

CAS Registry Number

134-49-6

SMILES

CC1NCCOC1C1=CC=CC=C1

InChI Identifier

InChI=1S/C11H15NO/c1-9-11(13-8-7-12-9)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3

InChI Key

OOBHFESNSZDWIU-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as phenylmorpholines. These are aromatic compounds containing a morpholine ring and a benzene ring linked to each other through a CC or a CN bond.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Oxazinanes

Sub Class

Morpholines

Direct Parent

Phenylmorpholines

Alternative Parents

Substituents

Phenylmorpholine
Aralkylamine
Monocyclic benzene moiety
Benzenoid
Dialkyl ether
Secondary aliphatic amine
Ether
Secondary amine
Azacycle
Oxacycle
Organooxygen compound
Organonitrogen compound
Organic oxygen compound
Amine
Organopnictogen compound
Hydrocarbon derivative
Organic nitrogen compound
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

morpholines (CHEBI:8067 )

Ontology

Physiological effect

Not Available

Disposition

Biological location

Non-excretory biofluid

Biofluid or Excreta

Blood (PMID: 31557052)

Process

Not Available

Role

Not Available

Physical Properties

State

Solid

Experimental Molecular Properties

Property	Value	Reference
Melting Point	139 °C	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	2.44 g/L	Not Available
LogP	1.7	Not Available

Experimental Chromatographic Properties

Experimental Collision Cross Sections

Adduct Type	Data Source	CCS Value (Å²)	Reference
[M+H]+	CBM	138.9	30932474

Predicted Molecular Properties

Property	Value	Source
Water Solubility	2.44 g/L	ALOGPS
logP	1.45	ALOGPS
logP	1.79	ChemAxon
logS	-1.9	ALOGPS
pKa (Strongest Basic)	8.22	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	21.26 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	52.47 m³·mol⁻¹	ChemAxon
Polarizability	20.1 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]+	140.501	31661259
DarkChem	[M-H]-	137.281	31661259
DeepCCS	[M+H]+	139.899	30932474
DeepCCS	[M-H]-	136.424	30932474
DeepCCS	[M-2H]-	173.775	30932474
DeepCCS	[M+Na]+	149.313	30932474
AllCCS	[M+H]+	139.6	32859911
AllCCS	[M+H-H2O]+	135.0	32859911
AllCCS	[M+NH4]+	143.8	32859911
AllCCS	[M+Na]+	145.0	32859911
AllCCS	[M-H]-	143.3	32859911
AllCCS	[M+Na-2H]-	143.9	32859911
AllCCS	[M+HCOO]-	144.7	32859911

Predicted Kovats Retention Indices

Underivatized

Metabolite	SMILES	Kovats RI Value	Column Type	Reference
Phenmetrazine	CC1NCCOC1C1=CC=CC=C1	2131.1	Standard polar	33892256
Phenmetrazine	CC1NCCOC1C1=CC=CC=C1	1418.3	Standard non polar	33892256
Phenmetrazine	CC1NCCOC1C1=CC=CC=C1	1480.1	Semi standard non polar	33892256

Derivatized

Derivative Name / Structure	SMILES	Kovats RI Value	Column Type	Reference
Phenmetrazine,1TMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C	1570.4	Semi standard non polar	33892256
Phenmetrazine,1TMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C	1604.6	Standard non polar	33892256
Phenmetrazine,1TMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C	2041.2	Standard polar	33892256
Phenmetrazine,1TBDMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C(C)(C)C	1788.7	Semi standard non polar	33892256
Phenmetrazine,1TBDMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C(C)(C)C	1831.1	Standard non polar	33892256
Phenmetrazine,1TBDMS,isomer #1	CC1C(C2=CC=CC=C2)OCCN1[Si](C)(C)C(C)(C)C	2215.2	Standard polar	33892256

Spectra

GC-MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental GC-MS	GC-MS Spectrum - Phenmetrazine EI-B (Non-derivatized)	splash10-00di-9100000000-da503eda1d0e6fdabb4c	2017-09-12	HMDB team, MONA, MassBank	View Spectrum
Experimental GC-MS	GC-MS Spectrum - Phenmetrazine EI-B (Non-derivatized)	splash10-00di-9100000000-da503eda1d0e6fdabb4c	2018-05-18	HMDB team, MONA, MassBank	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phenmetrazine GC-MS (Non-derivatized) - 70eV, Positive	splash10-0536-4900000000-7f843e150425b2270782	2017-09-01	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phenmetrazine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phenmetrazine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - Phenmetrazine GC-MS (Non-derivatized) - 70eV, Positive	Not Available	2021-10-12	Wishart Lab	View Spectrum
MS	Mass Spectrum (Electron Ionization)	splash10-05fu-9000000000-391e092b81a9d4597b70	2014-09-20	Not Available	View Spectrum

MS/MS Spectra

Spectrum Type	Description	Splash Key	Deposition Date	Source	View
Experimental LC-MS/MS	LC-MS/MS Spectrum - Phenmetrazine 35V, Positive-QTOF	splash10-016r-1900000000-75ef4995f957a6b2743f	2021-09-20	HMDB team, MONA	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 10V, Positive-QTOF	splash10-004i-0900000000-24b7f4265cec33a3f7d3	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 20V, Positive-QTOF	splash10-016r-1900000000-d0cc2a151a961714468a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 40V, Positive-QTOF	splash10-00kf-9100000000-88a1417b8f49b65d8b5a	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 10V, Negative-QTOF	splash10-004i-1900000000-25cc59ac71d2e73e2bd0	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 20V, Negative-QTOF	splash10-004i-2900000000-3ed3032c5a6bc82bea0d	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 40V, Negative-QTOF	splash10-052f-9400000000-b69c243353419b061a46	2016-08-03	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 10V, Positive-QTOF	splash10-004i-0900000000-26748d51e43e3187c79d	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 20V, Positive-QTOF	splash10-004i-2900000000-a2a9a5dc8ea066f027d5	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 40V, Positive-QTOF	splash10-0006-9300000000-a1844e2b82002001186e	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 10V, Negative-QTOF	splash10-004i-3900000000-559bc1feaf1e68623d28	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 20V, Negative-QTOF	splash10-004i-7900000000-e7bb7d24b30ebe1cec75	2021-10-11	Wishart Lab	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - Phenmetrazine 40V, Negative-QTOF	splash10-004l-9600000000-1f5dc0cdbd9228f2452a	2021-10-11	Wishart Lab	View Spectrum

NMR Spectra

Spectrum Type	Description	Deposition Date	Source	View
Predicted 1D NMR	¹³C NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹³C NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum
Predicted 1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	2021-09-25	Wishart Lab	View Spectrum

Biological Properties

Cellular Locations

Membrane

Biospecimen Locations

Blood
Urine

Tissue Locations

Kidney
Liver

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 DB00830	21059682	details
Urine	Expected but not Quantified	Not Quantified	Not Available	Not Available	Taking drug identified by DrugBank entry DB00830	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

DB00830

Phenol Explorer Compound ID

Not Available

FooDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

4598

KEGG Compound ID

C07432

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Phenmetrazine

METLIN ID

Not Available

PubChem Compound

4762

PDB ID

Not Available

ChEBI ID

8067

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. Sodium-dependent dopamine transporter

General function:: Involved in neurotransmitter:sodium symporter activity
Specific function:: Amine transporter. Terminates the action of dopamine by its high affinity sodium-dependent reuptake into presynaptic terminals.
Gene Name:: SLC6A3
Uniprot ID:: Q01959
Molecular weight:: 68494.255

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Rothman RB, Katsnelson M, Vu N, Partilla JS, Dersch CM, Blough BE, Baumann MH: Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7. [PubMed:12106802 ]
Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59. [PubMed:17017961 ]

Transporters

Enzyme Details

1. Sodium-dependent noradrenaline transporter

General function:: Involved in neurotransmitter:sodium symporter activity
Specific function:: Amine transporter. Terminates the action of noradrenaline by its high affinity sodium-dependent reuptake into presynaptic terminals.
Gene Name:: SLC6A2
Uniprot ID:: P23975
Molecular weight:: 69331.42

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284 ]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423 ]
Rothman RB, Katsnelson M, Vu N, Partilla JS, Dersch CM, Blough BE, Baumann MH: Interaction of the anorectic medication, phendimetrazine, and its metabolites with monoamine transporters in rat brain. Eur J Pharmacol. 2002 Jun 28;447(1):51-7. [PubMed:12106802 ]
Rothman RB, Baumann MH: Therapeutic potential of monoamine transporter substrates. Curr Top Med Chem. 2006;6(17):1845-59. [PubMed:17017961 ]

Showing metabocard for Phenmetrazine (HMDB0014968)

MOL for HMDB0014968 (Phenmetrazine)

3D MOL for HMDB0014968 (Phenmetrazine)

3D SDF for HMDB0014968 (Phenmetrazine)

3D-SDF for HMDB0014968 (Phenmetrazine)

PDB for HMDB0014968 (Phenmetrazine)

3D PDB for HMDB0014968 (Phenmetrazine)

SMILES for HMDB0014968 (Phenmetrazine)

INCHI for HMDB0014968 (Phenmetrazine)

Structure for HMDB0014968 (Phenmetrazine)

3D Structure for HMDB0014968 (Phenmetrazine)

Experimental Collision Cross Sections

Predicted Collision Cross Sections

Predicted Kovats Retention Indices

Underivatized

Derivatized

GC-MS Spectra

MS/MS Spectra

NMR Spectra

Enzymes

References

Transporters

References