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Substance Name: Defactinib hydrochloride [USAN]
RN: 1073160-26-5
UNII: L2S469LM49
InChIKey: RCHQNUQAHJNRBY-UHFFFAOYSA-N

Classification Code

  • Antineoplastic

Molecular Formula

  • C20-H21-F3-N8-O3-S.H-Cl

Molecular Weight

  • 546.9598
 
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Names and Synonyms

Name of Substance

  • Defactinib hydrochloride [USAN]

Synonyms

  • Defactinib hydrochloride
  • N-Methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)pyrazin-2-yl)methyl)amino)-5-(trifluoromethyl)pyrimidin-2-yl)amino)benzamide monohydrochloride
  • PF-04554878
  • UNII-L2S469LM49
  • VS-6063

Systematic Name

  • Benzamide, N-methyl-4-((4-(((3-(methyl(methylsulfonyl)amino)-2-pyrazinyl)methyl)amino)-5-(trifluoromethyl)-2-pyrimidinyl)amino)-, hydrochloride (1:1)

Registry Numbers

CAS Registry Number

  • 1073160-26-5

FDA UNII

  • L2S469LM49

System Generated Number

  • 1073160265

Structure Descriptors

InChI

1S/C20H21F3N8O3S.ClH/c1-24-18(32)12-4-6-13(7-5-12)29-19-28-10-14(20(21,22)23)16(30-19)27-11-15-17(26-9-8-25-15)31(2)35(3,33)34;/h4-10H,11H2,1-3H3,(H,24,32)(H2,27,28,29,30);1H

InChIKey

RCHQNUQAHJNRBY-UHFFFAOYSA-N

Smiles

CNC(=O)c1ccc(cc1)Nc2ncc(c(n2)NCc3c(nccn3)N(C)S(=O)(=O)C)C(F)(F)F.Cl