Ecadotril

CAS Registry Number®

112573-73-6

CAS Name

Ecadotril

Molecular Formula

C21H23NO4S

Molecular Mass

385.48

Cite this Page

Ecadotril.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=112573-73-6 (retrieved 2024-11-21) (CAS RN: 112573-73-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    71 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

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

InChIKey=ODUOJXZPIYUATO-LJQANCHMSA-N

SMILES

[C@H](CC1=CC=CC=C1)(C(NCC(OCC2=CC=CC=C2)=O)=O)CSC(C)=O

Canonical SMILES

O=C(OCC=1C=CC=CC1)CNC(=O)C(CSC(=O)C)CC=2C=CC=CC2

Other Names for this Substance

  • Glycine, N-[(2S)-2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester
  • Glycine, N-[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]-, phenylmethyl ester, (S)-
  • Sinorphan
  • Ecadotril
  • S 049

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration