IMLATOCLAX

Details

Stereochemistry	ACHIRAL
Molecular Formula	C47H54ClN7O7S
Molecular Weight	896.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)CCC(CN2CCN(CC2)C3=CC=C(C(=O)NS(=O)(=O)C4=CC(=C(NC[C@H]5CC[C@](C)(O)CC5)C=C4)[N+]([O-])=O)C(OC6=CC7=C(NC=C7)N=C6)=C3)=C(C1)C8=CC=C(Cl)C=C8

InChI

InChIKey=WKULGVVLSQGJTK-FRYYGAHLSA-N

InChI=1S/C47H54ClN7O7S/c1-46(2)16-14-34(40(27-46)32-4-6-35(48)7-5-32)30-53-20-22-54(23-21-53)36-8-10-39(43(25-36)62-37-24-33-15-19-49-44(33)51-29-37)45(56)52-63(60,61)38-9-11-41(42(26-38)55(58)59)50-28-31-12-17-47(3,57)18-13-31/h4-11,15,19,24-26,29,31,50,57H,12-14,16-18,20-23,27-28,30H2,1-3H3,(H,49,51)(H,52,56)/t31-,47-

HIDE SMILES / InChI

Molecular Formula	C47H54ClN7O7S
Molecular Weight	896.492
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:58:25 GMT 2023` Edited by `admin` on `Sat Dec 16 08:58:25 GMT 2023`
Record UNII	9N0WGX79M7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

IMLATOCLAX

Official Name

English

BENZAMIDE, 4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-1-PIPERAZINYL)-N-((4-(((TRANS-4-HYDROXY-4-METHYLCYCLOHEXYL)METHYL)AMINO)-3-NITROPHENYL)SULFONYL)-2-(1H-PYRROLO(2,3-B)PYRIDIN-5-YLOXY)-

Systematic Name

English

4-(4-((2-(4-CHLOROPHENYL)-4,4-DIMETHYLCYCLOHEX-1-EN- 1-YL)METHYL)PIPERAZIN-1-YL)-N-(4-(((TRANS-4-HYDROXY- 4-METHYLCYCLOHEXYL)METHYL)AMINO)-3-NITROBENZENESULFONYL)- 2-((1H-PYRROLO(2,3-B)PYRIDIN-5-YL)OXY)BENZAMIDE

Systematic Name

English

imlatoclax [INN]

Common Name

English

Code System Code Type Description

FDA UNII

9N0WGX79M7