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ABT 199

CAS Registry Number®

1257044-40-8

CAS Name

ABT 199

Molecular Formula

C45H50ClN7O7S

Molecular Mass

868.44

Cite this Page

ABT 199.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1257044-40-8 (retrieved 2024-11-25) (CAS RN: 1257044-40-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13-21-59-22-14-30/h3-10,12,16,23-25,28,30,48H,11,13-15,17-22,26-27,29H2,1-2H3,(H,47,49)(H,50,54)

InChIKey

InChIKey=LQBVNQSMGBZMKD-UHFFFAOYSA-N

SMILES

C(C1=C(CC(C)(C)CC1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC(OC=5C=C6C(=NC5)NC=C6)=C(C(NS(=O)(=O)C7=CC(N(=O)=O)=C(NCC8CCOCC8)C=C7)=O)C=C4

Canonical SMILES

O=C(NS(=O)(=O)C1=CC=C(NCC2CCOCC2)C(=C1)N(=O)=O)C3=CC=C(C=C3OC=4C=NC=5NC=CC5C4)N6CCN(CC7=C(C=8C=CC(Cl)=CC8)CC(C)(C)CC7)CC6

Other Names for this Substance

  • Benzamide, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-
  • 4-[4-[[2-(4-Chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-N-[[3-nitro-4-[[(tetrahydro-2H-pyran-4-yl)methyl]amino]phenyl]sulfonyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide
  • ABT 199
  • GDC 0199
  • Venetoclax

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