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Substance Name: AHN 086
RN: 103625-22-5
InChIKey: ITUTZPYBBPRLKR-UHFFFAOYSA-N

Molecular Formula

  • C18-H13-Cl2-N3-O-S.Cl-H

Molecular Weight

  • 426.7536
 
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Names and Synonyms

Name of Substance

  • AHN 086

Synonyms

  • 1-(2-Isothiocyanatoethyl)-7-chloro-1,3-dihydro-5-(4-chlorophenyl)-2H-1,4-benzodiazepine-2-one HCl
  • Ahn-086

Systematic Name

  • 2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(4-chlorophenyl)-1,3-dihydro-1-(2-isothiocyanatoethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 103625-22-5

System Generated Number

  • 0103625225

Molecular Formulas

Molecular Formula

  • C18-H13-Cl2-N3-O-S.Cl-H

Molecular Formula Fragments

  • C18-H13-Cl2-N3-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H13Cl2N3OS.ClH/c19-13-3-1-12(2-4-13)18-15-9-14(20)5-6-16(15)23(8-7-21-11-25)17(24)10-22-18;/h1-6,9H,7-8,10H2;1H

InChIKey

ITUTZPYBBPRLKR-UHFFFAOYSA-N

Smiles

c1cc(ccc1C2=NCC(=O)N(c3c2cc(cc3)Cl)CCN=C=S)Cl.Cl