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Substance Name: Propanoic acid, 3-(ethoxysulfinyl)-, ethyl ester
RN: 104802-87-1
InChIKey: HRIHIVUMLMAKQL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H14-O4-S

Molecular Weight

  • 194.2496
 
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Names and Synonyms

Synonyms

  • beta-(Hydroxysulfinyl)propionic acid diethyl ester
  • BRN 5504215
  • Ethyl 3-(ethoxysulfinyl)propanoate

Systematic Name

  • Propanoic acid, 3-(ethoxysulfinyl)-, ethyl ester

Registry Numbers

CAS Registry Number

  • 104802-87-1

System Generated Number

  • 0104802871

Structure Descriptors

InChI

1S/C7H14O4S/c1-3-10-7(8)5-6-12(9)11-4-2/h3-6H2,1-2H3

InChIKey

HRIHIVUMLMAKQL-UHFFFAOYSA-N

Smiles

CCOC(=O)CCS(=O)OCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 912mg/kg (912mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 496, 1986.