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Substance Name: Pyrrolo(1,2-a)pyrazine, octahydro-2-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
RN: 86490-20-2
InChIKey: DOXNFWYWHGDYCV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-Cl-N2-S.C-H4-O3-S

Molecular Weight

  • 467.0513
 
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Names and Synonyms

  • Pyrrolo(1,2-a)pyrazine, octahydro-2-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 86490-20-2

System Generated Number

  • 0086490202

Molecular Formulas

Molecular Formula

  • C21-H23-Cl-N2-S.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H23-Cl-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H23ClN2S.CH4O3S/c22-16-7-8-21-18(13-16)19(12-15-4-1-2-6-20(15)25-21)24-11-10-23-9-3-5-17(23)14-24;1-5(2,3)4/h1-2,4,6-8,13,17,19H,3,5,9-12,14H2;1H3,(H,2,3,4)

InChIKey

DOXNFWYWHGDYCV-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.c1ccc2c(c1)CC(c3cc(ccc3S2)Cl)N4CCN5CCCC5C4

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42800ug/kg (42.8mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 906, 1983.