Heroin
PubChem CID: 5462328
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| Compound Synonyms | HEROIN, Diacetylmorphine, Diamorphine, Acetomorphine, 3,6-Diacetylmorphine, Diaphorm, Eclorion, Morphacetin, Preza, O,O'-Diacetylmorphine, 561-27-3, Morphine diacetate, Acetomorfine, Diacetylmorfin, Diamorfina, Diasetilmorfin, Diacephin, Heroien, Heroiin, Herolan, Persian, Aspron, Dooje, Dujie, Eroina, Iroini, Stuff, Diasetielmorfien, Diasetylmorfiimi, Diazetylmorphine, Amsterdam Marble, Diacetyl morphine, TNT (narcotic), 3,6-O-Diacetylmorphine, Junk, Scot, HSDB 6473, 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], 7,8-Dihydro-4,5-alpha-epoxy-17-methylmorphinan-3,6-alpha-diol diacetate, Joy powder [Street Name], White stuff [Street Name], Indian Pink [Street Name], Penang Pink [Street Name], EINECS 209-217-7, Persian brown [Street Name], Mexican Brown [Street Name], Hairy, Harry, Diamorphine (BAN), Malaysian Pink [Street Name], White stuff, IDS-NH-001, DTXSID6046761, UNII-70D95007SX, CHEBI:27808, DIAMORPHINE-, IDS-NH-001(SECT.3), Diamorphine (TN), HEROIN [HSDB], 70D95007SX, J6.494G, JOY POWDER, Acetomorphin, 7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), DIACETYLMORPHINE [MI], DIAMORPHINE [WHO-DD], (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), DTXCID4026761, Smack, Boy (Street Name), 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), Crap (Street Name), Scag (Street Name), Hairy (Street Name), Harry (Street Name), Horse (Street Name), Noise (Street Name), Rufus (Street Name), Smack (Street Name), Rufus, Crap, Persian brown, Malaysian Pink, Mexican Brown, White junk, Black tar, Heroin (Diacetylmorphine), Black tar (Street Name), Black tar [Street Name], Indian Pink, Penang Pink, 17-methyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diyl diacetate, Joy powder (Street Name), White junk (Street Name), White junk [Street Name], White stuff (Street Name), Indian Pink (Street Name), Penang Pink (Street Name), Mexican Brown (Street Name), Persian brown (Street Name), [(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, Malaysian Pink (Street Name), Heroin (3,6-Diacetylmorphine), Scag, Heroin (1.0 mg/mL in Acetonitrile), (5.alpha.,6.alpha.)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol diacetate (ester), [(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, BOY, Black tar [Street Name], White junk [Street Name], Diamorphone, Diacetylmorphone, DEA No. 9200, ((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, (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, (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, 3-6 Diacetylmorphine, Diacetylmorphine (Heroin), NCGC00168253-01, SCHEMBL35150, CHEMBL459324, GTPL9082, 3,6-Diacetylmorphine (Heroin), GVGLGOZIDCSQPN-PVHGPHFFSA-N, 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, Big H, Black Tar, Chiva, Hell Dust, Horse, Negra, Smack, Thunder, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-methylmorphinan-3,6-diol 3,6-diacetate, 209-217-7, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-(5alpha,6alpha)-, diacetate (ester), morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, diacetate (ester), (5alpha,6alpha)- |
|---|---|
| Topological Polar Surface Area | 65.099 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 692.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P23141 |
| Iupac Name | [(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 |
| Prediction Hob | 1.0 |
| Xlogp | 1.5 |
| Molecular Formula | C21H23NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GVGLGOZIDCSQPN-PVHGPHFFSA-N |
| Fcsp3 | 0.5238095238095238 |
| Logs | -3.892 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.105 |
| Compound Name | Heroin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 369.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 369.158 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 369.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0262298444444458 |
| 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 | CC(=O)O[C@H]1C=C[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC(=O)C)CCN3C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:npass_chem_all