Canadine

CAS Registry Number®

5096-57-1

CAS Name

Canadine

Molecular Formula

C20H21NO4

Molecular Mass

339.39

Cite this Page

Canadine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5096-57-1 (retrieved 2024-11-21) (CAS RN: 5096-57-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    139 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1

InChIKey

InChIKey=VZTUIEROBZXUFA-INIZCTEOSA-N

SMILES

O(C)C1=C2CN3[C@](C=4C(=CC5=C(C4)OCO5)CC3)(CC2=CC=C1OC)[H]

Canonical SMILES

O(C1=CC=C2C(=C1OC)CN3CCC4=CC=5OCOC5C=C4C3C2)C

Other Names for this Substance

  • 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (13aS)-
  • 13aα-Berbine, 9,10-dimethoxy-2,3-(methylenedioxy)-
  • 6H-Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine, 5,8,13,13a-tetrahydro-9,10-dimethoxy-, (S)-
  • Canadine
  • (13aS)-5,8,13,13a-Tetrahydro-9,10-dimethoxy-6H-benzo[g]-1,3-benzodioxolo[5,6-a]quinolizine

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Deleted or Replaced CAS Registry Numbers

24314-65-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration