thebaine

[(Science: chemistry) A poisonous alkaloid, C19H21NO3, found in opium in small quantities, having a sharp, astringent taste, and a tetanic action resembling that of strychnine. Origin: So called from a kind of Egyptian opium produced at Thebes.

[1. An alkaloid obtained from opium (0.3–1.5%); it resembles strychnine in its action, causing tetanic convulsions.

Molecular Formula: C₁₉H₂₁NO₃

InChI: InChI=1/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-VMDGZTHMBG
SMILES: COC1=CC=C2[C@H]3CC4=CC=C(OC)C5=C4[C@@]2(CCN3C)[C@H]1O5

Names:
    Paramorphine
    Thebaine
    thebaine
    (5R,9R,13S)-4,5-Epoxy-3,6-dimethoxy-9alpha-methyl-6,8-morphinadien
    3-O-Methyl-oripavin
    4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6,8-morphinadien

Registries:
    PubChem CID 5324289
    ChEBI 9519
    Kegg C06173
    PubChem ID 11059134
    PubChem ID 8424