RIMONABANT 2-HYDROXY METABOLITE

Details

Stereochemistry	RACEMIC
Molecular Formula	C22H21Cl3N4O2
Molecular Weight	479.787
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of RIMONABANT 2-HYDROXY METABOLITE

SMILES

CC1=C(N(N=C1C(=O)NN2CCCCC2O)C3=C(Cl)C=C(Cl)C=C3)C4=CC=C(Cl)C=C4

InChI

InChIKey=MZHJINPNEMEVBP-UHFFFAOYSA-N

InChI=1S/C22H21Cl3N4O2/c1-13-20(22(31)27-28-11-3-2-4-19(28)30)26-29(18-10-9-16(24)12-17(18)25)21(13)14-5-7-15(23)8-6-14/h5-10,12,19,30H,2-4,11H2,1H3,(H,27,31)

HIDE SMILES / InChI

Molecular Formula	C22H21Cl3N4O2
Molecular Weight	479.787
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical
Record UNII	KT68RW59G8
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

RIMONABANT 2-HYDROXY METABOLITE

Common Name

English

1H-PYRAZOLE-3-CARBOXAMIDE, 5-(4-CHLOROPHENYL)-1-(2,4-DICHLOROPHENYL)-N-(2-HYDROXY-1-PIPERIDINYL)-4-METHYL-

Systematic Name

English

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Code System

Code

Type

Description

FDA UNII

KT68RW59G8

PRIMARY

PUBCHEM

165412084

PRIMARY

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Related Record

Type

Details


					RML78EN3XE

RIMONABANT

PARENT -> METABOLITE

Comments:

Transient existence forms imminium ion through dehydration.

Amount:

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