Thebaine

CAS Registry Number®

115-37-7
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CAS Name

Thebaine

Molecular Formula

C19H21NO3

Molecular Mass

311.37

Cite this Page

Thebaine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=115-37-7 (retrieved 2024-04-16) (CAS RN: 115-37-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    193 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C19H21NO3/c1-20-9-8-19-12-5-7-15(22-3)18(19)23-17-14(21-2)6-4-11(16(17)19)10-13(12)20/h4-7,13,18H,8-10H2,1-3H3/t13-,18+,19+/m1/s1

InChIKey

InChIKey=FQXXSQDCDRQNQE-VMDGZTHMSA-N

SMILES

O(C)C=1[C@]2([C@]34C=5C(O2)=C(OC)C=CC5C[C@](C3=CC1)(N(C)CC4)[H])[H]

Canonical SMILES

O(C1=CC=C2C3=C1OC4C(OC)=CC=C5C(N(C)CCC354)C2)C

Other Names for this Substance

  • Morphinan, 6,7,8,14-tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methyl-, (5α)-
  • Morphinan, 6,7,8,14-tetradehydro-4,5α-epoxy-3,6-dimethoxy-17-methyl-
  • (5α)-6,7,8,14-Tetradehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinan
  • Paramorphine
  • Thebaine

View All

Deleted or Replaced CAS Registry Numbers

78619-36-0, 1236363-11-3, 1489240-96-1

CAS INSIGHTSTM
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