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Substance Name: Dexecadotril [INN]
RN: 112573-72-5
UNII: 5OFI9D9892
InChIKey: ODUOJXZPIYUATO-IBGZPJMESA-N

Note

  • Prodrug of thiorphan.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H23-N-O4-S

Molecular Weight

  • 385.4817
 
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Names and Synonyms

Results Name

  • Dexecadotril [INN]

Name of Substance

  • Dexecadotril [INN]

Synonyms

  • (+)-N-((R)-alpha-(Mercaptomethyl)hydrocinnamoyl)glycine, benzyl ester, acetate (ester)
  • (R)-Acetorphan
  • (R)-N-(2-((Acetylthio)methyl)-1-oxo-3-phenylpropyl)glycine phenylmethyl ester
  • Dexecadotril
  • N-(2-Acetylthiomethyl-1-oxo-3-phenylpropyl)glycine-R(+)-benzyl ester
  • Retorphan
  • UNII-5OFI9D9892

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 112573-72-5

FDA UNII

  • 5OFI9D9892

System Generated Number

  • 0112573725

Structure Descriptors

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-/m0/s1

InChIKey

ODUOJXZPIYUATO-IBGZPJMESA-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,