(+)-Isothebaine

CAS Registry Number®

568-21-8
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CAS Name

(+)-Isothebaine

Molecular Formula

C19H21NO3

Molecular Mass

311.37

Cite this Page

(+)-Isothebaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=568-21-8 (retrieved 2024-06-26) (CAS RN: 568-21-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    203-204 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C19H21NO3/c1-20-8-7-12-10-15(23-3)19(21)18-16(12)13(20)9-11-5-4-6-14(22-2)17(11)18/h4-6,10,13,21H,7-9H2,1-3H3/t13-/m0/s1

InChIKey

InChIKey=RQCOQZNIQLKGTN-ZDUSSCGKSA-N

SMILES

OC1=C2C=3[C@](CC=4C2=C(OC)C=CC4)(N(C)CCC3C=C1OC)[H]

Canonical SMILES

OC1=C(OC)C=C2C3=C1C=4C(OC)=CC=CC4CC3N(C)CC2

Other Names for this Substance

  • 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (6aS)-
  • 6aα-Aporphin-1-ol, 2,11-dimethoxy-
  • Isothebaine
  • 4H-Dibenzo[de,g]quinolin-1-ol, 5,6,6a,7-tetrahydro-2,11-dimethoxy-6-methyl-, (S)-
  • (6aS)-5,6,6a,7-Tetrahydro-2,11-dimethoxy-6-methyl-4H-dibenzo[de,g]quinolin-1-ol

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Deleted or Replaced CAS Registry Numbers

21925-67-7