6-Acetylmorphine
PubChem CID: 5462507
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| Compound Synonyms | 6-Acetylmorphine, 6-O-Monoacetylmorphine, 2784-73-8, 6-MAM, O(sup 6)-Monoacetylmorphine, 6-O-Acetylmorphine, Monoacetylmorphine, Morphine 6-acetate, M5E47P1ZCH, 6-Acetyl Morphine, O6-Monoacetylmorphine, 7,8-Didehydro-4,5alpha-epoxy-17-methylmorphinan-3,6alpha-diol 6-acetate, CHEBI:2168, DTXSID60182154, Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-17-methyl-, 6-acetate, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, (5alpha,6alpha)-, 6-acetate, morphine-6-acetate, 6-MAM cpd, 6-Acetyl Morphine (1.0mg/ml in Acetonitrile), 6-(0-acetyl)morphine, 6-Acetyl Morphine (100 ug/mL in Acetonitrile), UNII-M5E47P1ZCH, O6-Acetylmorphine, 6-monoaceylmorphine, Heroin-M 6-MAM, CHEMBL592009, SCHEMBL7940016, DTXCID70104645, Morphine 6-acetate (6CI,7CI), BDBM224020, ((4R,4aR,7S,7aR,12bS)-9-hydroxy-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-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-yl] acetate, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5.alpha.,6.alpha.)-, 6-acetate, PD017203, 6-Acetylmorphine 0.1 mg/ml in Acetonitrile, 6-Acetylmorphine 1.0 mg/ml in Acetonitrile, NS00000049, Q2406967, morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl-, 6-acetate, (5alpha,6alpha)-, Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-17-methyl-, 6-acetate (8CI), [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate, MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-METHYL-(5.ALPHA.,6.ALPHA.)-, 6-ACETATE, MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-METHYL-(5ALPHA,6ALPHA)-, 6-ACETATE, YMorphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5alpha,6alpha)-, 6-acetate (9CI) |
|---|---|
| Topological Polar Surface Area | 59.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 592.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | [(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Is Pains | False |
| Molecular Formula | C19H21NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | JJGYGPZNTOPXGV-SSTWWWIQSA-N |
| Fcsp3 | 0.5263157894736842 |
| Rotatable Bond Count | 2.0 |
| Compound Name | 6-Acetylmorphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.147 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 327.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 327.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.899256 |
| Inchi | InChI=1S/C19H21NO4/c1-10(21)23-15-6-4-12-13-9-11-3-5-14(22)17-16(11)19(12,18(15)24-17)7-8-20(13)2/h3-6,12-13,15,18,22H,7-9H2,1-2H3/t12-,13+,15-,18-,19-/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)O)CCN3C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients