heroin

Heroin A narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the U.S. Code of Federal Regulations, Title 21 Parts 329.1, 1308.11 (1987). Sale is forbidden in the United States by Federal statute. (Merck Index, 11th ed)

[(Science: chemical) (5 alpha,6 alpha)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester). a narcotic analgesic that may be habit-forming. It is a controlled substance (opium derivative) listed in the u.s. code of federal regulations, title 21 parts 329.1, 1308.11 (1987). Sale is forbidden in the united states by federal statute. (merck index, 11th ed) Pharmacological action: analgesics, opioid, narcotics. chemical name: Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, diacetate (ester)

[1. An alkaloid, prepared from morphine by acetylation; rapidly metabolized to morphine in the body; formerly used for the relief of cough. Except for research, its use in the U.S. is prohibited by federal law because of its potential for abuse.

Molecular Formula: C₂₁H₂₃NO₅

InChI: InChI=1/C21H23NO5/c1-11(23)25-16-6-4-13-10-15-14-5-7-17(26-12(2)24)20-21(14,8-9-22(15)3)18(13)19(16)27-20/h4-7,14-15,17,20H,8-10H2,1-3H3/t14-,15+,17-,20-,21-/m0/s1

InChIKey: InChIKey=GVGLGOZIDCSQPN-PVHGPHFFBL
SMILES: [H][C@@]12C=C[C@H](OC(C)=O)[C@@H]3OC4=C(OC(C)=O)C=CC5=C4[C@]13CCN(C)[C@@H]2C5

CAS number 561-27-3

Names:
    CHEBI:27808
    Diacetylmorphine
    HEROIN
    Heroin
    heroin
    O,O'-Diacetylmorphine
    O,O'-Diacetylmorphine
    (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)
    (5α,6α)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester)
    17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate
    3,6-Diacetylmorphine
    561-27-3
    7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate

Registries:
    PubChem CID 5462328
    CAS 561-27-3 (from NIST)
    ChEBI 27808
    Kegg C06534
    PubChem ID 11533163
    PubChem ID 8764