Compound: HEROIN
SMILES: O=C(Oc1c2O[C@H]3[C@@H](OC(=O)C)C=C[C@@H]4[C@]53c2c(C[C@H]4N(C)CC5)cc1)C
InChIKey: GVGLGOZIDCSQPN-PVHGPHFFSA-N
Synonyms: HEROIN, Diacetylmorphine, Diamorphine, Acetomorphine, 3,6-Diacetylmorphine, Morphacetin, Diaphorm, Eclorion, O,O'-Diacetylmorphine, Morphine diacetate, Acetomorfine, Diacetylmorfin, Diamorfina, Diasetilmorfin, Diacephin, Diasetielmorfien, Diasetylmorfiimi, Diazetylmorphine, 561-27-3, Diacetyl morphine, 3,6-O-Diacetylmorphine, 7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate, J6.494G, IDS-NH-001, DTXSID6046761, CHEBI:27808, IDS-NH-001(SECT.3), 70D95007SX, 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), DTXCID4026761, Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, diacetate (ester), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, diacetate (ester), 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate, [(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate, 209-217-7, Diamorf, ((4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-yl) acetate, ((4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7-yl) acetate, [(4R,4aR,7S,7aR,12bS)-9-acetyloxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate, Hydrochloride, Heroin, RefChem:783762, Min I Jet Morphine Sulphate, Hydrochloride, Diacetylmorphine, (1S,5R,13R,14S,17R)-14-(acetyloxy)-4-methyl-12-oxa-4-azapentacyclo(9.6.1.01,13.05,17.07,18)octadeca-7(18),8,10,15-tetraen-10-yl acetate, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-(5alpha,6alpha)-, diacetate (ester), Preza, Aspron, Eroina, Heroien, Heroiin, Herolan, Iroini, Persian, Dooje, Dujie, Stuff, Junk, Scot, Amsterdam Marble, TNT (narcotic), HSDB 6473, Acetomorphin, Hairy, Harry, White stuff, JOY POWDER, Smack, Rufus, Crap, Persian brown, Malaysian Pink, Mexican Brown, White junk, Black tar, Heroin (Diacetylmorphine), Indian Pink, Penang Pink, Heroin (3,6-Diacetylmorphine), Scag, Heroin (1.0 mg/mL in Acetonitrile), Boy [Street Name], Crap [Street Name], Scag [Street Name], Hairy [Street Name], Harry [Street Name], Horse [Street Name], Noise [Street Name], Rufus [Street Name], Smack [Street Name], BOY, EINECS 209-217-7, Joy powder [Street Name], White stuff [Street Name], Black tar  [Street Name], Indian Pink [Street Name], Penang Pink [Street Name], White junk  [Street Name], Persian brown [Street Name], Mexican Brown [Street Name], Malaysian Pink [Street Name], Heroin base, DEA No. 9200, UNII-70D95007SX, Diamorphine (BAN), DIAMORPHINE-, HEROIN [HSDB], Diacetylmorphine (Heroin), NCGC00168253-01, Epitope ID:2269951, SCHEMBL35150, DIACETYLMORPHINE [MI], DIAMORPHINE [WHO-DD], CHEMBL459324, GTPL9082, 3,6-Diacetylmorphine (Heroin), SCHEMBL29631710, GVGLGOZIDCSQPN-PVHGPHFFSA-N, Heroin (1 mg/mL in Acetonitrile), (5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), Tox21_112612, DB01452, CAS-561-27-3, DB-220304, NS00000040, Heroin, analytical standard, >=98% (HPLC), C06534, D07286, Q60168, Heroin (Diacetylmorphine) 1.0 mg/ml in Acetonitrile, Heroin (3,6-Diacetylmorphine), 1mg/ml in Acetonitrile, 17-Methyl-5alpha,6alpha-7,8-didehydro-4,5-epoxymorphinan-3,6-diyl diacetate, morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetate (ester), (5alpha,6alpha)-
Theoretical properties:
molecular_formula: C21H23NO5
molecular_weight: 369.4 g/mol
exact_mass: 369.15762283 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 6
rotatable_bond_count: 4
heavy_atom_count: 27
topological_polar_surface_area: 65.1 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Orthorhombic plates, tablets from ethyl acetate
color: Orthorhombic plates, tablets from ethyl acetate
odor: Odorless
boiling_point: 272-274 °C at 1.20E+01 mm Hg
density: 1.56 g/cu cm at 25 °C
vapor_pressure: 7.59X10-10 mm Hg at 25 °C
Descriptions:
{"pubchem": "Heroin is a morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses. It has a role as an opioid analgesic, a prodrug and a mu-opioid receptor agonist. It is functionally related to a morphine.", "chebi": "A morphinane alkaloid that is morphine bearing two acetyl substituents on the O-3 and O-6 positions. As with other opioids, heroin is used as both an analgesic and a recreational drug. Frequent and regular administration is associated with tolerance and physical dependence, which may develop into addiction. Its use includes treatment for acute pain, such as in severe physical trauma, myocardial infarction, post-surgical pain, and chronic pain, including end-stage cancer and other terminal illnesses.", "chembl": "DIACETYLMORPHINE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 3.0.", "wikipedia": "Heroin, also known as diacetylmorphine and diamorphine among other names, is a morphinan opioid substance synthesized from the dried latex of the opium poppy; it is mainly used as a recreational drug for its euphoric effects. Heroin is used medically in several countries to relieve pain, such as during childbirth or a heart attack. Medical-grade diamorphine is used as a pure hydrochloride salt. Various white and brown powders sold illegally around the world as heroin are routinely diluted with cutting agents. Black tar heroin is a variable admixture of morphine derivatives\u2014predominantly 6-MAM (6-monoacetylmorphine), which is the result of crude acetylation during clandestine production of street heroin.\nHeroin is typically injected, usually into a vein, but it can also be snorted, smoked, or inhaled. In a clinical context, the route of administration is most commonly intravenous injection; it may also be given by intramuscular or subcutaneous injection, as well as orally in the form of tablets. The onset of effects is usually rapid and lasts for a few hours.\nCommon side effects include respiratory depression (decreased breathing), dry mouth, drowsiness, impaired mental function, constipation, and addiction. Use by injection can also result in abscesses, infected heart valves, blood-borne infections, and pneumonia. After a history of long-term use, opioid withdrawal symptoms can begin within hours of the last use. When given by injection into a vein, heroin has two to three times the effect of a similar dose of morphine. It typically appears in the form of a white or brown powder.\nTreatment of heroin addiction often includes behavioral therapy and medications. Medications can include buprenorphine, methadone, or naltrexone. A heroin overdose may be treated with naloxone. As of 2015, an estimated 17 million people use opiates non-medically, of which heroin is the most common, and opioid use resulted in 122,000 deaths; also, as of 2015, the total number of heroin users worldwide is believed to have increased in Africa, the Americas, and Asia since 2000. In the United States, approximately 1.6 percent of people have used heroin at some point. When people die from overdosing on a drug, the drug is usually an opioid and often heroin.\nHeroin was first made by C. R. Alder Wright in 1874 from morphine, a natural product of the opium poppy. Internationally, heroin is controlled under Schedules I and IV of the Single Convention on Narcotic Drugs, and it is generally illegal to make, possess, or sell without a license. About 448 tons of heroin were made in 2016. In 2015, Afghanistan produced about 66% of the world's opium. Illegal heroin is often mixed with other substances such as sugar, starch, caffeine, quinine, or other opioids like fentanyl."}