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Substance Name: 2-Propanol, 1-((1-methylethyl)amino)-3-((2,3,4,5-tetrahydro-1-benzothiepin-7-yl)oxy)-, hydrochloride
RN: 37014-77-0
InChIKey: JQQZPKRRLJACOU-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O2-S.Cl-H

Molecular Weight

  • 331.905
 
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Names and Synonyms

Synonyms

  • 1-((1-Methylethyl)amino)-3-((2,3,4,5-tetrahydro-1-benzothiepin-7-yl)oxy)-2-propanol HCl
  • 7-(3-Isopropylamino-2-hydroxypropoxy)-2,3,4,5-tetrahydro-1-benzothiepin hydrochloride

Systematic Name

  • 2-Propanol, 1-((1-methylethyl)amino)-3-((2,3,4,5-tetrahydro-1-benzothiepin-7-yl)oxy)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 37014-77-0

System Generated Number

  • 0037014770

Molecular Formulas

Molecular Formula

  • C16-H25-N-O2-S.Cl-H

Molecular Formula Fragments

  • C16-H25-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO2S.ClH/c1-12(2)17-10-14(18)11-19-15-6-7-16-13(9-15)5-3-4-8-20-16;/h6-7,9,12,14,17-18H,3-5,8,10-11H2,1-2H3;1H

InChIKey

JQQZPKRRLJACOU-UHFFFAOYSA-N

Smiles

C([C@@H](COc1ccc2c(CCCCS2)c1)O)NC(C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 37, Pg. 1195, 1972.