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Substance Name: Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-ethyl-7-(2-thienyl)-, hydrochloride, hydrate (2:4:3)
RN: 105138-46-3
InChIKey: XHGWKJFKLKMIIO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H21-N3-S.2Cl-H.3/2H2-O

Molecular Weight

  • 384.3727
 
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Names and Synonyms

  • Pyrazino(1,2-a)(1,4)benzodiazepine, 1,2,3,4,4a,5-hexahydro-3-ethyl-7-(2-thienyl)-, hydrochloride, hydrate (2:4:3)

Registry Numbers

CAS Registry Number

  • 105138-46-3

System Generated Number

  • 0105138463

Molecular Formulas

Molecular Formula

  • C18-H21-N3-S.2Cl-H.3/2H2-O

Molecular Formula Fragments

  • C18-H21-N3-S
  • Cl-H
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H21N3S.2ClH/c1-2-20-9-10-21-14(13-20)12-19-18(17-8-5-11-22-17)15-6-3-4-7-16(15)21;;/h3-8,11,14H,2,9-10,12-13H2,1H3;2*1H

InChIKey

XHGWKJFKLKMIIO-UHFFFAOYSA-N

Smiles

CCN1CCN2c3ccccc3C(=NCC2C1)c4cccs4.Cl.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 420mg/kg (420mg/kg)   United States Patent Document. Vol. #4594436,