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Substance Name: Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride
RN: 40284-12-6
InChIKey: XUZKWGHQFMAXTE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H18-N2-O2-S.Cl-H

Molecular Weight

  • 290.813
 
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Names and Synonyms

Synonym

  • N-(3,4-Dimethoxyphenethyl)-2-mercaptoacetamidine hydrochloride

Systematic Name

  • Acetamidine, N-(3,4-dimethoxyphenethyl)-2-mercapto-, hydrochloride

Registry Numbers

CAS Registry Number

  • 40284-12-6

System Generated Number

  • 0040284126

Molecular Formulas

Molecular Formula

  • C12-H18-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C12-H18-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C12H18N2O2S.ClH/c1-15-10-4-3-9(7-11(10)16-2)5-6-14-12(13)8-17;/h3-4,7,17H,5-6,8H2,1-2H3,(H2,13,14);1H

InChIKey

XUZKWGHQFMAXTE-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)CCNC(CS)=[NH+])OC)OC.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.