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Substance Name: Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride
RN: 16780-08-8
InChIKey: VMMXEXDKYRUNJS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H21-N-O3-S.Cl-H

Molecular Weight

  • 331.862
 
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Names and Synonyms

Synonym

  • p-Ethoxythiobenzoic acid O-2-morpholinoethyl ester hydrochloride

Systematic Name

  • Benzoic acid, p-ethoxythio-, O-2-morpholinoethyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 16780-08-8

System Generated Number

  • 0016780088

Molecular Formulas

Molecular Formula

  • C15-H21-N-O3-S.Cl-H

Molecular Formula Fragments

  • C15-H21-N-O3-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C15H21NO3S.ClH/c1-2-18-14-5-3-13(4-6-14)15(20)19-12-9-16-7-10-17-11-8-16;/h3-6H,2,7-12H2,1H3;1H

InChIKey

VMMXEXDKYRUNJS-UHFFFAOYSA-N

Smiles

c1(ccc(OCC)cc1)C(OCC[NH+]1CCOCC1)=S.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Therapie. Vol. 11, Pg. 117, 1956.