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Substance Name: 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride
RN: 51734-63-5
InChIKey: GNXNYYJQMCBCBQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H35-N-O2-S.Cl-H

Molecular Weight

  • 402.0394
 
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Names and Synonyms

Synonym

  • 1-(Dibutylamino)-3-(propylthio)-2-propanol benzoate hydrochloride

Systematic Name

  • 2-Propanol, 1-(dibutylamino)-3-(propylthio)-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 51734-63-5

System Generated Number

  • 0051734635

Molecular Formulas

Molecular Formula

  • C21-H35-N-O2-S.Cl-H

Molecular Formula Fragments

  • C21-H35-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H35NO2S.ClH/c1-4-7-14-22(15-8-5-2)17-20(18-25-16-6-3)24-21(23)19-12-10-9-11-13-19;/h9-13,20H,4-8,14-18H2,1-3H3;1H

InChIKey

GNXNYYJQMCBCBQ-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CC(CSCCC)OC(=O)c1ccccc1.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo subcutaneous 150mg/kg (150mg/kg)   Yakugaku Zasshi. Journal of Pharmacy. Vol. 94, Pg. 126, 1974.