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Substance Name: Ecadotril [USAN:INN]
RN: 112573-73-6
UNII: 6XSR933SRK
InChIKey: ODUOJXZPIYUATO-LJQANCHMSA-N

Classification Codes

  • Antihypertensive
  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O4-S

Molecular Weight

  • 385.4817
 
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Names and Synonyms

Name of Substance

  • Ecadotril
  • Ecadotril [USAN:INN]

Synonyms

  • (S)-Acetophan
  • (S)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester
  • BAY y 7432
  • BAY-y 7432
  • BP 1.02
  • Ecadotril
  • Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (S)-
  • N-((S)-alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester)
  • N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)glycine (S)(-)benzyl ester
  • S 049
  • S.049
  • Sinorphan
  • UNII-6XSR933SRK

Systematic Name

  • Glycine, N-(2-((acetylthio)methyl)-1-oxo-3-phenylpropyl)-, phenylmethyl ester, (S)-

Registry Numbers

CAS Registry Number

  • 112573-73-6

FDA UNII

  • 6XSR933SRK

System Generated Number

  • 0112573736

Structure Descriptors

InChI

InChI=1S/C21H23NO4S/c1-16(23)27-15-19(12-17-8-4-2-5-9-17)21(25)22-13-20(24)26-14-18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3,(H,22,25)/t19-/m1/s1

InChIKey

ODUOJXZPIYUATO-LJQANCHMSA-N

Smiles

CC(=O)SC[C@@H](Cc1ccccc1)C(=O)NCC(=O)OCc2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5331008,