Isocolchicine

CAS Registry Number®

518-12-7

CAS Name

Isocolchicine

Molecular Formula

C22H25NO6

Molecular Mass

399.44

Cite this Page

Isocolchicine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=518-12-7 (retrieved 2024-11-15) (CAS RN: 518-12-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Boiling Point (1)

    53-54 °C @ Press: 26 Torr

  • Melting Point (2)

    225-226 °C

  • Density (1)

    2.8700 g/cm³ @ Temp: 27 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-17(25)18(26-2)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1

InChIKey

InChIKey=MDYALASTPGGXQH-INIZCTEOSA-N

SMILES

O(C)C1=C2C3=C([C@@H](NC(C)=O)CCC2=CC(OC)=C1OC)C=C(OC)C(=O)C=C3

Canonical SMILES

O=C1C=CC=2C3=C(OC)C(OC)=C(OC)C=C3CCC(NC(=O)C)C2C=C1OC

Other Names for this Substance

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

CAS INSIGHTSTM
Targeted protein degrader structure, illustration