Benzylmorphine
PubChem CID: 5362507
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| Compound Synonyms | Benzylmorphine, O3-Benzylmorphine, Morphine, benzyl-, 14297-87-1, 3-O-Benzylmorphine, Peronine, EINECS 238-230-0, UNII-83C78V3OL9, DEA No. 9052, 83C78V3OL9, 3-Benzyloxy-4,5alpha-epoxy-17-methyl-7-morphinen-6alpha-ol, BENZYLMORPHINE [MI], IDS-NB-002, DTXSID30162246, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5-alpha,6-alpha)-, Morphinan-6-alpha-ol, 3-(benzyloxy)-7,8-didehydro-4,5-alpha-epoxy-17-methyl-, (4R,4aR,7S,7aR,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5.alpha.,6.alpha.)-, benzylmorphin, Morphinan-6.alpha.-ol, 3-(benzyloxy)-7,8-didehydro-4,5.alpha.-epxoy-17-methyl-, (1S,5R,13R,14S,17R)-10-(benzyloxy)-4-methyl-12-oxa-4-azapentacyclo(9.6.1.01,13.0?,1?.0?,1?)octadeca-7(18),8,10,15-tetraen-14-ol, (1S,5R,13R,14S,17R)-10-(benzyloxy)-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.0?,1?.0?,1?]octadeca-7(18),8,10,15-tetraen-14-ol, (4R,4aR,7S,7aR,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol, SCHEMBL24880, 7,8-Didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)morphinan-6-ol, DTXCID4084737, Morphinan-6-.alpha.-ol, 3-(benzyloxy)-7,8-didehydro-4,5-.alpha.-epoxy-17-methyl-, RDJGWRFTDZZXSM-RNWLQCGYSA-N, DB01573, NS00024648, Q4083783, MORPHINAN-6-ALPHA-OL, 3-(BENZYLOXY)-7,8-DIDEHYDRO-4,5-ALPHA- EPOXY-17-METHYL-, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5alpha,6alpha)-, Morphinan-6alpha-ol, 3-(benzyloxy)-7,8-didehydro-4,5alpha-epxoy-17-methyl-, 238-230-0, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5-alpha,6-alpha)-(9CI), Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-17-methyl-3-(phenylmethoxy)-, (5a,6a)-, Morphinan-6a-ol, 3-(benzyloxy)-7,8-didehydro-4,5a-epoxy-17-methyl- (8CI), Benzylmorphine, O3-Benzylmorphine |
|---|---|
| Topological Polar Surface Area | 41.9 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 631.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4R,4aR,7S,7aR,12bS)-3-methyl-9-phenylmethoxy-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Molecular Formula | C24H25NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RDJGWRFTDZZXSM-RNWLQCGYSA-N |
| Fcsp3 | 0.4166666666666667 |
| Logs | -4.257 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.592 |
| Compound Name | Benzylmorphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 375.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 375.183 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 375.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.943944457142858 |
| Inchi | InChI=1S/C24H25NO3/c1-25-12-11-24-17-8-9-19(26)23(24)28-22-20(27-14-15-5-3-2-4-6-15)10-7-16(21(22)24)13-18(17)25/h2-10,17-19,23,26H,11-14H2,1H3/t17-,18+,19-,23-,24-/m0/s1 |
| Smiles | CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OCC6=CC=CC=C6)O[C@H]3[C@H](C=C4)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients