ABT 263

CAS Registry Number®

923564-51-6

CAS Name

ABT 263

Molecular Formula

C47H55ClF3N5O6S3

Molecular Mass

974.61

Cite this Page

ABT 263.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=923564-51-6 (retrieved 2024-11-24) (CAS RN: 923564-51-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=JLYAXFNOILIKPP-KXQOOQHDSA-N

SMILES

C(C1=C(CCC(C)(C)C1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC=C(C(NS(=O)(=O)C5=CC(S(C(F)(F)F)(=O)=O)=C(N[C@H](CCN6CCOCC6)CSC7=CC=CC=C7)C=C5)=O)C=C4

Canonical SMILES

O=C(NS(=O)(=O)C1=CC=C(NC(CSC=2C=CC=CC2)CCN3CCOCC3)C(=C1)S(=O)(=O)C(F)(F)F)C4=CC=C(C=C4)N5CCN(CC6=C(C=7C=CC(Cl)=CC7)CCC(C)(C)C6)CC5

Other Names for this Substance

  • 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]-
  • 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
  • ABT 263
  • Navitoclax
  • A 855071.0

Deleted or Replaced CAS Registry Numbers

1000696-69-4