Monlunabant

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H22ClF3N6O3S
Molecular Weight	591.004
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(=O)NC(=N)N=C(NS(=O)(=O)C1=CC=C(C=C1)C(F)(F)F)N2C[C@@H](C(=N2)C3=CC=C(Cl)C=C3)C4=CC=CC=C4

InChI

InChIKey=GYJPQNPVIJXXTA-JOCHJYFZSA-N

InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/t22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H22ClF3N6O3S
Molecular Weight	591.004
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 16:45:45 GMT 2025` Edited by `admin` on `Wed Apr 02 16:45:45 GMT 2025`
Record UNII	4G8X27X87A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Monlunabant

Official Name

English

MRI-1891

Preferred Name

English

Acetamide, N-[[[[(4S)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazol-1-yl][[[4-(trifluoromethyl)phenyl]sulfonyl]amino]methylene]amino]iminomethyl]-

Common Name

English

(4S)-3-(4-chlorophenyl)-4,5-dihydro-N?-(acetylamino(imino)methyl)-4-phenyl-N-[[4-(trifluoromethyl)phenyl]sulfonyl]-1H-pyrazole-1-carboximidamide

Systematic Name

English

MRI-1891, (S)-

Code

English

monlunabant [INN]

Common Name

English

Code System Code Type Description

SMS_ID

300000042999