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Substance Name: 2-Propanol, 1-(butylthio)-3-(dibutylamino)-, benzoate (ester), hydrochloride
RN: 51734-64-6
InChIKey: YOCPXKKCGHYUNV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H37-N2-O2-S.Cl-H

Molecular Weight

  • 416.0662
 
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Names and Synonyms

Synonym

  • 1-(Butylthio)-3-(dibutylamino)-2-propanol benzoate hydrochloride

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 51734-64-6

System Generated Number

  • 0051734646

Molecular Formulas

Molecular Formula

  • C22-H37-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C22-H37-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C22H37NO2S.ClH/c1-4-7-15-23(16-8-5-2)18-21(19-26-17-9-6-3)25-22(24)20-13-11-10-12-14-20;/h10-14,21H,4-9,15-19H2,1-3H3;1H

InChIKey

YOCPXKKCGHYUNV-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CC(CSCCCC)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.