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Substance Name: Ethanol, 1-(3,4-dibromo-2-thienyl)-2-isopropylamino-, hydrochloride
RN: 57681-90-0
InChIKey: QUZMJYTXSPXGRS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H13-Br2-N-O-S.Cl-H

Molecular Weight

  • 379.5426
 
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Names and Synonyms

Synonyms

  • 1-(3,4-Dibromo-2-thienyl)-2-isopropylaminoethanol hydrochloride
  • 2-Thiophenemethanol, 3,4-dibromo-alpha-(isopropylaminomethyl)-, hydrochloride
  • 3,4-Dibromo-alpha-(isopropylaminomethyl)-2-thiophenemethanol hydrochloride

Systematic Name

  • Ethanol, 1-(3,4-dibromo-2-thienyl)-2-isopropylamino-, hydrochloride

Registry Numbers

CAS Registry Number

  • 57681-90-0

System Generated Number

  • 0057681900

Molecular Formulas

Molecular Formula

  • C9-H13-Br2-N-O-S.Cl-H

Molecular Formula Fragments

  • C9-H13-Br2-N-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C9H13Br2NOS.ClH/c1-5(2)12-3-7(13)9-8(11)6(10)4-14-9;/h4-5,7,12-13H,3H2,1-2H3;1H

InChIKey

QUZMJYTXSPXGRS-UHFFFAOYSA-N

Smiles

CC(C)NCC(c1c(c(cs1)Br)Br)O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 400mg/kg (400mg/kg)   Journal of Medicinal Chemistry. Vol. 19, Pg. 876, 1976.
mouse LD50 intravenous 27mg/kg (27mg/kg)   Journal of Medicinal Chemistry. Vol. 20, Pg. 970, 1977.