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Substance Name: p-Anisic acid, thio-, O-2-(diethylamino)ethyl ester, hydrochloride
RN: 15504-09-3
InChIKey: LBHFNTZLMYSPPE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H21-N-O2-S.Cl-H

Molecular Weight

  • 303.852
 
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Names and Synonyms

Synonym

  • Thio-p-anisic acid O-2-(diethylamino)ethyl ester hydrochloride

Systematic Name

  • p-Anisic acid, thio-, O-2-(diethylamino)ethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 15504-09-3

System Generated Number

  • 0015504093

Molecular Formulas

Molecular Formula

  • C14-H21-N-O2-S.Cl-H

Molecular Formula Fragments

  • C14-H21-N-O2-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H21NO2S.ClH/c1-4-15(5-2)9-8-11-10-12(17-3)6-7-13(11)14(16)18;/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,18);1H

InChIKey

LBHFNTZLMYSPPE-UHFFFAOYSA-N

Smiles

c1(c(cc(cc1)OC)CCN(CC)CC)C(O)=S.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 250mg/kg (250mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Therapie. Vol. 11, Pg. 117, 1956.