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Substance Name: Venetoclax [USAN:INN]
RN: 1257044-40-8
UNII: N54AIC43PW
InChIKey: LQBVNQSMGBZMKD-UHFFFAOYSA-N

Note

  • A BCL-2 inhibitor with antineoplastic activity that is used in the treatment of CHRONIC LYMPHOCYTIC LEUKEMIA associated with chromosome 17p deletion.

Molecular Formula

  • C45-H50-Cl-N7-O7-S

Molecular Weight

  • 868.451
 

Classification Code

  • Antineoplastic Agents
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Names and Synonyms

Results Name

  • Venetoclax [USAN:INN]

Name of Substance

  • 4-(4-((2-(4-chlorophenyl)-4,4-dimethylcyclohex-1-en-1-yl)methyl)piperazin-1-yl)-N-((3-nitro-4-((tetrahydro-2H-pyran-4-ylmethyl)amino)phenyl)sulfonyl)-2-(1H-pyrrolo(2,3-b)pyridin-5-yloxy)benzamide
  • ABT-199
  • Venetoclax
  • Venetoclax [USAN:INN]

Synonyms

  • ABT 199
  • ABT199
  • GDC 0199
  • UNII-N54AIC43PW
  • Venclexta
  • Venetoclax

Registry Numbers

CAS Registry Number

  • 1257044-40-8

FDA UNII

  • N54AIC43PW

System Generated Number

  • 1257044408

Structure Descriptors

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

LQBVNQSMGBZMKD-UHFFFAOYSA-N

Smiles

CC1(CCC(=C(C1)c2ccc(cc2)Cl)CN3CCN(CC3)c4ccc(c(c4)Oc5cc6cc[nH]c6nc5)C(=O)NS(=O)(=O)c7ccc(c(c7)[N+](=O)[O-])NCC8CCOCC8)C