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Substance Name: Benzoic acid, 2-((2-(4-morpholinyl)ethyl)sulfinyl)-, hydrochloride
RN: 59264-25-4
InChIKey: ASKUPSCBBIACRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H17-N-O4-S.Cl-H

Molecular Weight

  • 319.8072
 
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Names and Synonyms

Synonyms

  • 2-((2-(4-Morpholinyl)ethyl)sulfinyl)benzoic acid hydrochloride
  • CRL 40047
  • o-(Morpholinoethylsulphinyl)benzoic acid hydrochloride

Systematic Name

  • Benzoic acid, 2-((2-(4-morpholinyl)ethyl)sulfinyl)-, hydrochloride

Registry Numbers

CAS Registry Number

  • 59264-25-4

System Generated Number

  • 0059264254

Molecular Formulas

Molecular Formula

  • C13-H17-N-O4-S.Cl-H

Molecular Formula Fragments

  • C13-H17-N-O4-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C13H17NO4S.ClH/c15-13(16)11-3-1-2-4-12(11)19(17)10-7-14-5-8-18-9-6-14;/h1-4H,5-10H2,(H,15,16);1H

InChIKey

ASKUPSCBBIACRD-UHFFFAOYSA-N

Smiles

c1ccc(c(c1)C(=O)O)S(=O)CCN2CCOCC2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 6gm/kg (6000mg/kg)   United States Patent Document. Vol. #4065584,