(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol

CAS Registry Number®

5140-50-1

CAS Name

(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol

Molecular Formula

C19H21NO4

Molecular Mass

327.37

Cite this Page

(12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=5140-50-1 (retrieved 2024-11-24) (CAS RN: 5140-50-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    148 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-14(21)19-18(11)13(20)8-12-9-16(22-2)17(23-3)10-15(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1

InChIKey

InChIKey=ITGZZZYNPULRNZ-ZDUSSCGKSA-N

SMILES

CN1[C@@]2(C=3C(OC=4C(C2)=CC(OC)=C(OC)C4)=C(O)C=CC3CC1)[H]

Canonical SMILES

OC1=CC=C2C3=C1OC4=CC(OC)=C(OC)C=C4CC3N(C)CC2

Other Names for this Substance

  • 1H-[1]Benzoxepino[2,3,4-ij]isoquinolin-6-ol, 2,3,12,12a-tetrahydro-9,10-dimethoxy-1-methyl-, (12aS)-
  • Cularidine
  • 1H-[1]Benzoxepino[2,3,4-ij]isoquinolin-6-ol, 2,3,12,12a-tetrahydro-9,10-dimethoxy-1-methyl-, (S)-
  • (12aS)-2,3,12,12a-Tetrahydro-9,10-dimethoxy-1-methyl-1H-[1]benzoxepino[2,3,4-ij]isoquinolin-6-ol
  • (+)-Cularidine