3-(4-CHLOROPHENYL)-1-METHYL-4-((4-(4-((3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYLCARBAMOYL)-3-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)PHENYL)PIPERAZIN-1-YL)METHYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C45H48ClN7O9S
Molecular Weight	898.422
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-(4-CHLOROPHENYL)-1-METHYL-4-((4-(4-((3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYLCARBAMOYL)-3-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)PHENYL)PIPERAZIN-1-YL)METHYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID

Structure Search

SMILES

CC1(CCC(CN2CCN(CC2)C3=CC=C(C(=O)NS(=O)(=O)C4=CC=C(NCC5CCOCC5)C(=C4)[N+]([O-])=O)C(OC6=CN=C7NC=CC7=C6)=C3)=C(C1)C8=CC=C(Cl)C=C8)C(O)=O

InChI

InChIKey=FVMAYWHIARABIL-UHFFFAOYSA-N

InChI=1S/C45H48ClN7O9S/c1-45(44(55)56)14-10-32(38(25-45)30-2-4-33(46)5-3-30)28-51-16-18-52(19-17-51)34-6-8-37(41(23-34)62-35-22-31-11-15-47-42(31)49-27-35)43(54)50-63(59,60)36-7-9-39(40(24-36)53(57)58)48-26-29-12-20-61-21-13-29/h2-9,11,15,22-24,27,29,48H,10,12-14,16-21,25-26,28H2,1H3,(H,47,49)(H,50,54)(H,55,56)

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-(4-CHLOROPHENYL)-1-METHYL-4-((4-(4-((3-NITRO-4-(TETRAHYDROPYRAN-4-YLMETHYLAMINO)PHENYL)SULFONYLCARBAMOYL)-3-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)PHENYL)PIPERAZIN-1-YL)METHYL)CYCLOHEX-3-ENE-1-CARBOXYLIC ACID

Systematic Name

English

VENETOCLAX METABOLITE M18

Common Name

English

Code System Code Type Description

PUBCHEM

165412106

Created by admin on Sat Dec 16 18:47:33 GMT 2023 , Edited by admin on Sat Dec 16 18:47:33 GMT 2023

PRIMARY

FDA UNII

JHZ6QXR97Z