small molecule

Heroin

Synonyms/Brands: Diamorphine, Diacetylmorphine, 3,6-Diacetylmorphine, O,O'-Diacetylmorphine, 7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate, (5,6)-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) Internationally, heroin is controlled under Schedules I and IV of the Single Convention on Narcotic Drugs. It is illegal to manufacture, possess, or sell heroin in the United States and the UK. However, under the name diamorphine, heroin is a legal prescription drug in the United Kingdom.

Molecular Formula: C₂₁H₂₃NO₅

Molecular Weight:: 369.411

CAS:: 561-27-3

ATC:: N07BC06

InChiKey:: GVGLGOZIDCSQPN-PVHGPHFFSA-N

InChi:: InChI=1S/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

SMILES:: [H][C@@]12OC3=C(OC(C)=O)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@@H]2OC(C)=O

IUPAC Name:: (1S,5R,13R,14S,17R)-14-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0,.0,.0,]octadeca-7(18),8,10,15-tetraen-10-yl acetate

DrugBank ChEMBL PubChem ChemSpider ChEBI KEGG Drug

Download Curated Data for this Chemical

1399

Interactors 3
Chemical Interactions 10
Network

Chemical Summary

Heroin