Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 2-Propanol, 1-((3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-, hydrochloride, (E)-
RN: 85196-08-3
InChIKey: VXWXLIRRTMDLPV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O-S.Cl-H

Molecular Weight

  • 376.9693
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • (E)-1-((3-Dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-2-propanol hydrochloride
  • (E)-11-(3-(N-(2-Hydroxypropyl)-N-methylamino)propylidene)-6,11-dihydrodibenzo(b,e)thiepin HCl

Systematic Name

  • 2-Propanol, 1-((3-dibenzo(b,e)thiepin-11(6H)-ylidenepropyl)methylamino)-, hydrochloride, (E)-

Registry Numbers

CAS Registry Number

  • 85196-08-3

System Generated Number

  • 0085196083

Molecular Formulas

Molecular Formula

  • C21-H25-N-O-S.Cl-H

Molecular Formula Fragments

  • C21-H25-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H26NOS.ClH/c1-16(23)14-22(2)13-7-11-19-18-9-4-3-8-17(18)15-24-21-12-6-5-10-20(19)21;/h3-6,8-12,16,21,23H,7,13-15H2,1-2H3;1H

InChIKey

VXWXLIRRTMDLPV-UHFFFAOYSA-N

Smiles

CC(CN(C)CCC=C1=C2C=CC=CC2SCc3c1cccc3)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 22700ug/kg (22.7mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 163, 1983.
mouse LDLo oral 554mg/kg (554mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 48, Pg. 163, 1983.