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Substance Name: Benzoic acid, 3-amino-4-butoxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride
RN: 100811-79-8
InChIKey: LQGSNQGBQKDTKP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H28-N2-O2-S.Cl-H

Molecular Weight

  • 360.947
 
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Names and Synonyms

Synonyms

  • 2-Diethylaminoethyl 3-amino-4-butoxythiolbenzoate hydrochloride
  • 3-Amino-4-butoxythiobenzoic acid S-(2-(diethylamino)ethyl) ester hydrochloride

Systematic Name

  • Benzoic acid, 3-amino-4-butoxythio-, S-(2-(diethylamino)ethyl) ester, monohydrochloride

Registry Numbers

CAS Registry Number

  • 100811-79-8

System Generated Number

  • 0100811798

Molecular Formulas

Molecular Formula

  • C17-H28-N2-O2-S.Cl-H

Molecular Formula Fragments

  • C17-H28-N2-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H28N2O2S.ClH/c1-4-7-11-21-16-9-8-14(13-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H

InChIKey

LQGSNQGBQKDTKP-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 10567ug/kg (10.567mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Journal of Pharmacology and Experimental Therapeutics. Vol. 123, Pg. 269, 1958.