Thebacon

CAS Registry Number®

466-90-0

CAS Name

Thebacon

Molecular Formula

C20H23NO4

Molecular Mass

341.40

Cite this Page

Thebacon.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=466-90-0 (retrieved 2024-11-21) (CAS RN: 466-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    154 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C20H23NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6-7,13-14,19H,5,8-10H2,1-3H3/t13-,14+,19-,20-/m0/s1

InChIKey

InChIKey=RRJQTGHQFYTZOW-ILWKUFEGSA-N

SMILES

O(C(C)=O)C=1[C@]2([C@]34C=5C(O2)=C(OC)C=CC5C[C@]([C@@]3(CC1)[H])(N(C)CC4)[H])[H]

Canonical SMILES

O=C(OC1=CCC2C3N(C)CCC42C5=C(OC14)C(OC)=CC=C5C3)C

Other Names for this Substance

  • Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, 6-acetate, (5α)-
  • Morphinan-6-ol, 6,7-didehydro-4,5α-epoxy-3-methoxy-17-methyl-, acetate (ester)
  • Morphinan-6-ol, 6,7-didehydro-4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5α)-
  • Thebaine, demethyldihydro-, acetate
  • 6-Acetoxy-4,5-epoxy-3-methoxy-N-methylmorphin-6-en

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration