3-((4-((4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYL-CYCLOHEXEN-1-YL)METHYL)PIPERAZIN-1-YL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZOYL)SULFAMOYL)-2-NITRO-ANILINO)METHYL)-5-HYDROXY-PENTANOIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C45H50ClN7O9S
Molecular Weight	900.438
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-((4-((4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYL-CYCLOHEXEN-1-YL)METHYL)PIPERAZIN-1-YL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZOYL)SULFAMOYL)-2-NITRO-ANILINO)METHYL)-5-HYDROXY-PENTANOIC ACID

Structure Search

SMILES

CC1(C)CCC(CN2CCN(CC2)C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(NCC(CCO)CC(O)=O)C(=C4)[N+]([O-])=O)C(OC5=CN=C6NC=CC6=C5)=C3)=C(C1)C7=CC=C(Cl)C=C7

InChI

InChIKey=OMJNEMMJFSXIRR-UHFFFAOYSA-N

InChI=1S/C45H50ClN7O9S/c1-45(2)14-11-32(38(25-45)30-3-5-33(46)6-4-30)28-51-16-18-52(19-17-51)34-7-9-37(41(23-34)62-35-22-31-12-15-47-43(31)49-27-35)44(57)50-63(60,61)36-8-10-39(40(24-36)53(58)59)48-26-29(13-20-54)21-42(55)56/h3-10,12,15,22-24,27,29,48,54H,11,13-14,16-21,25-26,28H2,1-2H3,(H,47,49)(H,50,57)(H,55,56)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-((4-((4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYL-CYCLOHEXEN-1-YL)METHYL)PIPERAZIN-1-YL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)BENZOYL)SULFAMOYL)-2-NITRO-ANILINO)METHYL)-5-HYDROXY-PENTANOIC ACID

Systematic Name

English

VENETOCLAX METABOLITE M17

Common Name

English

Code System Code Type Description

PUBCHEM

165412080

Created by admin on Sat Dec 16 18:15:17 GMT 2023 , Edited by admin on Sat Dec 16 18:15:17 GMT 2023

PRIMARY

FDA UNII

BZ9MH9ALC2