Magnolin

CAS Registry Number®

6859-66-1

CAS Name

Magnolin

Molecular Formula

C36H40N2O6

Molecular Mass

596.71

Cite this Page

Magnolin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=6859-66-1 (retrieved 2024-12-22) (CAS RN: 6859-66-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    178-179 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C36H40N2O6/c1-37-13-11-24-18-34(42-3)32(40)20-27(24)29(37)15-22-5-8-26(9-6-22)44-36-17-23(7-10-31(36)39)16-30-28-21-33(41)35(43-4)19-25(28)12-14-38(30)2/h5-10,17-21,29-30,39-41H,11-16H2,1-4H3/t29-,30+/m1/s1

InChIKey

InChIKey=FDABVSXGAMFQQH-IHLOFXLRSA-N

SMILES

C([C@H]1C=2C(=CC(OC)=C(O)C2)CCN1C)C3=CC(OC4=CC=C(C[C@@H]5C=6C(=CC(OC)=C(O)C6)CCN5C)C=C4)=C(O)C=C3

Canonical SMILES

OC1=CC=C(C=C1OC2=CC=C(C=C2)CC3C4=CC(O)=C(OC)C=C4CCN3C)CC5C6=CC(O)=C(OC)C=C6CCN5C

Other Names for this Substance

  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, (1R)-
  • Magnoline
  • 7-Isoquinolinol, 1,2,3,4-tetrahydro-1-[[4-[2-hydroxy-5-[(1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl)methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-, [S-(R*,S*)]-
  • (1R)-1,2,3,4-Tetrahydro-1-[[4-[2-hydroxy-5-[[(1S)-1,2,3,4-tetrahydro-7-hydroxy-6-methoxy-2-methyl-1-isoquinolinyl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-7-isoquinolinol
  • Grisabutine

View All

Deleted or Replaced CAS Registry Numbers

573-74-0

CAS INSIGHTSTM
Pile of blue, green, and white color of capsule pills with modern design light.