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Substance Name: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-(3-methylbutyl)-7-(2-thienyl)-, dihydrochloride
RN: 105138-51-0
InChIKey: WCVCOQJRYARTOG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-S.2Cl-H

Molecular Weight

  • 426.4531
 
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Names and Synonyms

Synonym

  • RTECS UT1694000

Systematic Name

  • Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-(3-methylbutyl)-7-(2-thienyl)-, dihydrochloride

Registry Numbers

CAS Registry Number

  • 105138-51-0

System Generated Number

  • 0105138510

Molecular Formulas

Molecular Formula

  • C21-H27-N3-S.2Cl-H

Molecular Formula Fragments

  • C21-H27-N3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3S.2ClH/c1-16(2)9-10-23-11-12-24-17(15-23)14-22-21(20-8-5-13-25-20)18-6-3-4-7-19(18)24;;/h3-8,13,16-17H,9-12,14-15H2,1-2H3;2*1H

InChIKey

WCVCOQJRYARTOG-UHFFFAOYSA-N

Smiles

CC(C)CCN1CCN2c3ccccc3C(=NCC2C1)c4cccs4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 730mg/kg (730mg/kg)   United States Patent Document. Vol. #4594436,