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Substance Name: Navitoclax dihydrochloride [USAN]
RN: 1093851-28-5
UNII: W8FZ00AY2S
InChIKey: WDVGRPCSLPVWKC-VROLVAQFSA-N

Note

  • A BH3 mimetic antineoplastic.

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C47-H55-Cl-F3-N5-O6-S3.2(H-Cl)

Molecular Weight

  • 1047.5473
 
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Names and Synonyms

Name of Substance

  • Navitoclax dihydrochloride [USAN]

Synonyms

  • 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
  • 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
  • A-855071.3
  • Navitoclax dihydrochloride
  • Navitoclax HCl
  • Navitoclax hydrochloride
  • UNII-W8FZ00AY2S

Systematic Name

  • 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)

Registry Numbers

CAS Registry Number

  • 1093851-28-5

FDA UNII

  • W8FZ00AY2S

System Generated Number

  • 1093851285

Structure Descriptors

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

InChIKey

WDVGRPCSLPVWKC-VROLVAQFSA-N

Smiles

CC1(CCC(=C(C1)CN2CCN(CC2)c3ccc(cc3)C(=O)NS(=O)(=O)c4ccc(c(c4)S(=O)(=O)C(F)(F)F)N[C@H](CCN5CCOCC5)CSc6ccccc6)c7ccc(cc7)Cl)C.Cl.Cl