NAVITOCLAX DIHYDROCHLORIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C47H55ClF3N5O6S3.2ClH
Molecular Weight	1047.535
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

Cl.Cl.CC1(C)CCC(=C(CN2CCN(CC2)C3=CC=C(C=C3)C(=O)NS(=O)(=O)C4=CC(=C(N[C@H](CCN5CCOCC5)CSC6=CC=CC=C6)C=C4)S(=O)(=O)C(F)(F)F)C1)C7=CC=C(Cl)C=C7

InChI

InChIKey=WDVGRPCSLPVWKC-VROLVAQFSA-N

InChI=1S/C47H55ClF3N5O6S3.2ClH/c1-46(2)20-18-42(34-8-12-37(48)13-9-34)36(31-46)32-55-22-24-56(25-23-55)39-14-10-35(11-15-39)45(57)53-65(60,61)41-16-17-43(44(30-41)64(58,59)47(49,50)51)52-38(19-21-54-26-28-62-29-27-54)33-63-40-6-4-3-5-7-40;;/h3-17,30,38,52H,18-29,31-33H2,1-2H3,(H,53,57);2*1H/t38-;;/m1../s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C47H55ClF3N5O6S3
Molecular Weight	974.613
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:39:26 UTC 2023` Edited by `admin` on `Fri Dec 15 19:39:26 UTC 2023`
Record UNII	W8FZ00AY2S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NAVITOCLAX DIHYDROCHLORIDE

Official Name

English

4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((4- (((1R)-3-(MORPHOLIN-4-YL)-1-((PHENYLSULFANYL)METHYL)PROPYL)AMINO)-3-((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE DIHYDROCHLORIDE

Common Name

English

BENZAMIDE, 4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYL-1-CYCLOHEXEN-1-YL)METHYL)-1- PIPERAZINYL)-N-((4-(((1R)-3-(4-MORPHOLINYL)-1-((PHENYLTHIO)METHYL)PROPYL)AMINO)-3- ((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)-, HYDROCHLORIDE (1:2)

Common Name

English

Navitoclax dihydrochloride [WHO-DD]

Common Name

English

NAVITOCLAX DIHYDROCHLORIDE [USAN]

Common Name

English

A-855071.3

Code

English

4-(4-((2-(4-CHLOROPHENYL)-5,5-DIMETHYLCYCLOHEX-1-EN-1-YL)METHYL)PIPERAZIN-1-YL)-N-((4- (((2R)-4-(MORPHOLIN-4-YL)-1-(PHENYLSULFANYL)BUTAN-2-YL)AMINO)-3- ((TRIFLUOROMETHYL)SULFONYL)PHENYL)SULFONYL)BENZAMIDE DIHYDROCHLORIDE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

257408