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Substance Name: VA-111913 tosylate
RN: 1334519-42-4
UNII: 813T1H5KZB
InChIKey: DMHLXBPDTVZRQU-UHFFFAOYSA-N

Molecular Formula

  • C23-H21-Cl-F-N5-O2.C7-H8-O3-S

Molecular Weight

  • 626.0982
 
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Names and Synonyms

Name of Substance

  • VA-111913 tosylate

Synonyms

  • Cyclopropanecarboxamide, N-((4-((8-chloro-4,10-dihydro-1-methylpyrazolo(3,4-b)(1,5)benzodiazepin-5(1H)-yl)carbonyl)-2-fluorophenyl)methyl)-, 4-methylbenzenesulfonate
  • UNII-813T1H5KZB
  • VA-111913 tosylate

Registry Numbers

CAS Registry Number

  • 1334519-42-4

FDA UNII

  • 813T1H5KZB

System Generated Number

  • 1334519424

Structure Descriptors

InChI

1S/C23H21ClFN5O2.C7H8O3S/c1-29-21-16(11-27-29)12-30(20-7-6-17(24)9-19(20)28-21)23(32)14-4-5-15(18(25)8-14)10-26-22(31)13-2-3-13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9,11,13,28H,2-3,10,12H2,1H3,(H,26,31);2-5H,1H3,(H,8,9,10)

InChIKey

DMHLXBPDTVZRQU-UHFFFAOYSA-N

Smiles

Cc1ccc(cc1)S(=O)(=O)O.Cn2ncc3CN(C(=O)c4ccc(CNC(=O)C5CC5)c(F)c4)c6ccc(Cl)cc6Nc23