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Substance Name: Benzonitrile, 2-amino-3-chloro-5-(2-(cyclopentylamino)-1-hydroxyethyl)-, monohydrochloride
RN: 97776-21-1
InChIKey: GCOOAOCXKMHBOF-UHFFFAOYSA-N

Molecular Formula

  • C14-H18-Cl-N3-O.Cl-H

Molecular Weight

  • 316.2301
 
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Names and Synonyms

Synonyms

  • 1-(4-Amino-3-chlor-5-cyan-phenyl)-2-cyclopentylamino-aethanol-hydrochlorid
  • 1-(4-Amino-3-chlor-5-cyan-phenyl)-2-cyclopentylamino-aethanol-hydrochlorid [German]
  • 2-Amino-3-chloro-5-(2-(cyclopentylamino)-1-hydroxyethyl)benzonitrile monohydrochloride

Systematic Name

  • Benzonitrile, 2-amino-3-chloro-5-(2-(cyclopentylamino)-1-hydroxyethyl)-, monohydrochloride

Registry Numbers

CAS Registry Number

  • 97776-21-1

System Generated Number

  • 0097776211

Molecular Formulas

Molecular Formula

  • C14-H18-Cl-N3-O.Cl-H

Molecular Formula Fragments

  • C14-H18-Cl-N3-O
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H18ClN3O.ClH/c15-12-6-9(5-10(7-16)14(12)17)13(19)8-18-11-3-1-2-4-11;/h5-6,11,13,18-19H,1-4,8,17H2;1H

InChIKey

GCOOAOCXKMHBOF-UHFFFAOYSA-N

Smiles

c1c(cc(c(c1C#N)N)Cl)C(CNC2CCCC2)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 39100ug/kg (39.1mg/kg)   European Patent Application. Vol. #0057900,