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Navitoclax

Molecular FormulaC₄₇H₅₅ClF₃N₅O₆S₃
Average mass974.613 Da
Monoisotopic mass973.295532 Da
ChemSpider ID21864722

- 1 of 1 defined stereocentres

More details:

Featured data source

Names and Synonyms
Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

4-(4-{[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[(2R)-4-(4-morpholinyl)-1-(phenylsulfanyl)-2-butanyl]amino}-3-[(trifluoromethyl)sulfonyl]phenyl)sulfonyl]benzamid e [ACD/IUPAC Name]

4-(4-{[2-(4-Chlorophényl)-5,5-diméthyl-1-cyclohexén-1-yl]méthyl}-1-pipérazinyl)-N-[(4-{[(2R)-4-(4-morpholinyl)-1-(phénylsulfanyl)-2-butanyl]amino}-3-[(trifluorométhyl)sulfonyl]phényl)sulfonyl]benzamid e [French] [ACD/IUPAC Name]

4-(4-{[2-(4-Chlorphenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl}-1-piperazinyl)-N-[(4-{[(2R)-4-(4-morpholinyl)-1-(phenylsulfanyl)-2-butanyl]amino}-3-[(trifluormethyl)sulfonyl]phenyl)sulfonyl]benzamid [German] [ACD/IUPAC Name]

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]benzamide

923564-51-6 [RN]

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]sulfon yl]- [ACD/Index Name]

Navitoclax [INN] [USAN]

Navitoclax [Spanish] [INN]

Navitoclax [French] [INN]

Navitoclaxum [Latin] [INN]

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XKJ5VVK2WD

(R)-4-(4-((2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl)methyl)piperazin-1-yl)-N-(4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)phenylsulfonyl)benzamide

(R)-4-(4-((4'-chloro-4,4-dimethyl-3,4,5,6-tetrahydro-[1,1'-biphenyl]-2-yl)methyl)piperazin-1-yl)-N-((4-((4-morpholino-1-(phenylthio)butan-2-yl)amino)-3-((trifluoromethyl)sulfonyl)phenyl)sulfonyl)benzamide

(Z)-Non-6-enal [ACD/IUPAC Name]

(Z)-non-6-enal;CIS-6-NONENAL;(6Z)-6-Nonenal;(6Z)-nonenal;(z)-6-nonena;(Z)-6-Nonenal;6-cis-Nonenal;6-Nonenal,cis;C6 NONENAL;cis-6-Nonen-1-al;FEMA 3580;non-6c-enal;NONENAL-CIS-6;cis-6-Nonenal;(z)-6-nonenal

[923564-51-6] [RN]

1217620-38-6 [RN]

1XJ

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-trifluoromethanesulfonylbenzenesulfonyl)benzamide

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

4-[4-[[2-(4-Chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-

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]-benzamide

4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[4-[[(1R)-3-(4-morpholinyl)-1-benzamide

4-[4-[[2-(4-chlorophenyl)-5,5-dimethyl-1-cyclohexenyl]methyl]-1-piperazinyl]-N-[4-[[(2R)-4-(4-morpholinyl)-1-(phenylthio)butan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

4-[4-[[2-(4-chlorophenyl)-5,5-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide

ABT 263|ABT-263

abt 263-d8

abt263 (navitoclax)

abt-263,navitoclax

ABT-263;ABT 263;ABT263

CID 46779840

MFCD12756219 [MDL number]

Navitoclax (ABT-263)

navitoclax; navitoclaxum

NOCAS_42640

UNII:XKJ5VVK2WD

UNII-XKJ5VVK2WD

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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

9288 [DBID]

A-855071.0 [DBID]

ABT 263 [DBID]

ABT_263 [DBID]

ABT-263 [DBID]

ABT263 [DBID]

LY 450108 [DBID]

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon
Predicted - Mcule

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density:	1.4±0.1 g/cm³
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction:	1.655
Molar Refractivity:	252.3±0.4 cm³
#H bond acceptors:	11
#H bond donors:	2
#Freely Rotating Bonds:	17
#Rule of 5 Violations:	3

ACD/LogP:	12.14
ACD/LogD (pH 5.5):	7.40
ACD/BCF (pH 5.5):	47677.79
ACD/KOC (pH 5.5):	10984.60
ACD/LogD (pH 7.4):	8.31
ACD/BCF (pH 7.4):	384093.44
ACD/KOC (pH 7.4):	88492.23
Polar Surface Area:	170 Å²
Polarizability:	100.0±0.5 10^-24cm³
Surface Tension:	66.1±5.0 dyne/cm
Molar Volume:	687.8±5.0 cm³

Click to predict properties on the Chemicalize site

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Navitoclax

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