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Substance Name: Navitoclax [USAN:INN]
RN: 923564-51-6
UNII: XKJ5VVK2WD
InChIKey: JLYAXFNOILIKPP-KXQOOQHDSA-N

Note

  • A BH3 mimetic antineoplastic.

Classification Codes

  • Antineoplastic Agents
  • Treatment of Cancer

Molecular Formula

  • C47-H55-Cl-F3-N5-O6-S3

Molecular Weight

  • 974.6255
 
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Names and Synonyms

Name of Substance

  • Navitoclax
  • Navitoclax [USAN:INN]

Synonyms

  • A-855071.0
  • ABT 263
  • ABT-263
  • Navitoclax
  • UNII-XKJ5VVK2WD

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)-

Registry Numbers

CAS Registry Number

  • 923564-51-6

FDA UNII

  • XKJ5VVK2WD

Other Registry Number

  • 1000696-69-4

System Generated Number

  • 0923564516

Structure Descriptors

InChI

1S/C47H55ClF3N5O6S3/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)/t38-/m1/s1

InChIKey

JLYAXFNOILIKPP-KXQOOQHDSA-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