3-Demethylthiocolchicine

CAS Registry Number®

87424-25-7

CAS Name

3-Demethylthiocolchicine

Molecular Formula

C21H23NO5S

Molecular Mass

401.48

Cite this Page

3-Demethylthiocolchicine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=87424-25-7 (retrieved 2024-11-22) (CAS RN: 87424-25-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H23NO5S/c1-11(23)22-15-7-5-12-9-17(25)20(26-2)21(27-3)19(12)13-6-8-18(28-4)16(24)10-14(13)15/h6,8-10,15,25H,5,7H2,1-4H3,(H,22,23)/t15-/m0/s1

InChIKey

InChIKey=PKYOHQGXPPVIGD-HNNXBMFYSA-N

SMILES

O(C)C1=C2C=3C([C@@H](NC(C)=O)CCC2=CC(O)=C1OC)=CC(=O)C(SC)=CC3

Canonical SMILES

O=C1C=C2C(=CC=C1SC)C3=C(OC)C(OC)=C(O)C=C3CCC2NC(=O)C

Other Names for this Substance

  • Acetamide, N-[(7S)-5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-
  • Acetamide, N-[5,6,7,9-tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]-, (S)-
  • Colchicine, 2-demethylthio-
  • Benzo[a]heptalene, acetamide deriv.
  • N-[(7S)-5,6,7,9-Tetrahydro-3-hydroxy-1,2-dimethoxy-10-(methylthio)-9-oxobenzo[a]heptalen-7-yl]acetamide

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