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Substance Name: Acetamidine, N-(cycloheptylmethyl)-2-mercapto-, hydrochloride, hemihydrate
RN: 64059-00-3
InChIKey: ZZBOVXFJRLDWEF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H20-N2-S.Cl-H.1/2H2-O

Molecular Weight

  • 491.633
 
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Names and Synonyms

Synonym

  • N-(Cycloheptylmethyl)-2-mercaptoacetamidine hydrochloride hemihydrate

Systematic Name

  • Acetamidine, N-(cycloheptylmethyl)-2-mercapto-, hydrochloride, hemihydrate

Registry Numbers

CAS Registry Number

  • 64059-00-3

System Generated Number

  • 0064059003

Molecular Formulas

Molecular Formula

  • C10-H20-N2-S.Cl-H.1/2H2-O

Molecular Formula Fragments

  • C10-H20-N2-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/2C10H20N2S.2ClH.H2O/c2*11-10(8-13)12-7-9-5-3-1-2-4-6-9;;;/h2*9,13H,1-8H2,(H2,11,12);2*1H;1H2

InChIKey

ZZBOVXFJRLDWEF-UHFFFAOYSA-N

Smiles

C(=N)(NCC1CCCCCC1)CS.Cl.O.C(=N)(NCC1CCCCCC1)CS.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 18mg/kg (18mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 35mg/kg (35mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.