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Substance Name: Benzoic acid, 4-amino-2-pentyloxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride
RN: 100311-10-2
InChIKey: PCTWPGWWLUDMBT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H30-N2-O2-S.Cl-H

Molecular Weight

  • 374.974
 
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Names and Synonyms

Synonyms

  • 4-Amino-2-pentyloxythiobenzoic acid S-2-(diethylamino)ethyl ester hydrochloride
  • WIN 5334

Systematic Name

  • Benzoic acid, 4-amino-2-pentyloxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 100311-10-2

System Generated Number

  • 0100311102

Molecular Formulas

Molecular Formula

  • C18-H30-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C18-H30-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H30N2O2S.ClH/c1-4-7-8-12-22-17-14-15(19)9-10-16(17)18(21)23-13-11-20(5-2)6-3;/h9-10,14H,4-8,11-13,19H2,1-3H3;1H

InChIKey

PCTWPGWWLUDMBT-UHFFFAOYSA-N

Smiles

c1(c(cc(N)cc1)OCCCCC)C(SCC[NH+](CC)CC)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 494ug/kg (0.494mg/kg)   Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 44, Pg. 393, 1955.