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Substance Name: Denibulin hydrochloride [USAN]
RN: 779356-64-8
UNII: 0U575HR16Q
InChIKey: JUMSCXLBFWHCRA-PPHPATTJSA-N

Classification Code

  • Treatment of Solid Tumors

Molecular Formula

  • C18-H19-N5-O3-S.Cl-H

Molecular Weight

  • 421.907
 
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Names and Synonyms

Name of Substance

  • Denibulin hydrochloride [USAN]

Synonyms

  • Denibulin HCl
  • Denibulin hydrochloride
  • Methyl (5-((4-(((2S)-2-aminopropanoyl)amino)phenyl)sulfanyl)-1H-benzimidazol-2-yl)carbamate monohydrochloride
  • MN- 029
  • MN-029
  • UNII-0U575HR16Q

Systematic Name

  • Carbamic acid, (5-((4-(((2S)-2-amino-1-oxopropyl)amino)phenyl)thio)-1H-benzimidazol-2-yl)-, methyl ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 779356-64-8

FDA UNII

  • 0U575HR16Q

System Generated Number

  • 0779356648

Molecular Formulas

Molecular Formula

  • C18-H19-N5-O3-S.Cl-H

Molecular Formula Fragments

  • C18-H19-N5-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H19N5O3S.ClH/c1-10(19)16(24)20-11-3-5-12(6-4-11)27-13-7-8-14-15(9-13)22-17(21-14)23-18(25)26-2;/h3-10H,19H2,1-2H3,(H,20,24)(H2,21,22,23,25);1H/t10-;/m0./s1

InChIKey

JUMSCXLBFWHCRA-PPHPATTJSA-N

Smiles

C[C@@H](C(=O)Nc1ccc(cc1)Sc2ccc3c(c2)nc([nH]3)NC(=O)OC)N.Cl