Epalrestat

CAS Registry Number®

82159-09-9

CAS Name

Epalrestat

Molecular Formula

C15H13NO3S2

Molecular Mass

319.40

Cite this Page

Epalrestat.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82159-09-9 (retrieved 2024-11-22) (CAS RN: 82159-09-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    210-217 °C

Source(s)

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

Other Names and Identifiers

InChI

InChI=1S/C15H13NO3S2/c1-10(7-11-5-3-2-4-6-11)8-12-14(19)16(9-13(17)18)15(20)21-12/h2-8H,9H2,1H3,(H,17,18)/b10-7+,12-8-

InChIKey

InChIKey=CHNUOJQWGUIOLD-NFZZJPOKSA-N

SMILES

C(\C(=C\C1=CC=CC=C1)\C)=C\2/C(=O)N(CC(O)=O)C(=S)S2

Canonical SMILES

O=C(O)CN1C(=S)SC(=CC(=CC=2C=CC=CC2)C)C1=O

Other Names for this Substance

  • 3-Thiazolidineacetic acid, 5-[(2E)-2-methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-, (5Z)-
  • 3-Thiazolidineacetic acid, 5-(2-methyl-3-phenyl-2-propenylidene)-4-oxo-2-thioxo-, (Z,E)-
  • 3-Thiazolidineacetic acid, 5-[(2E)-2-methyl-3-phenyl-2-propenylidene]-4-oxo-2-thioxo-, (5Z)-
  • (5Z)-5-[(2E)-2-Methyl-3-phenyl-2-propen-1-ylidene]-4-oxo-2-thioxo-3-thiazolidineacetic acid
  • ONO 2235

View All

Deleted or Replaced CAS Registry Numbers

125654-73-1

CAS INSIGHTSTM
Targeted protein degrader structure, illustration