10-Hydroxycodeine
PubChem CID: 12310665
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| Compound Synonyms | 10-hydroxycodeine, LG15ICI5H5, 1777-89-5, UNII-LG15ICI5H5, Codeine monohydrate impurity E [EP], NSC 63826, NSC-63826, Codeine phosphate hemihydrate impurity E [EP], Codeine hydrochloride dihydrate impurity E [EP], Codeine phosphate sesquihydrate impurity E [EP], CODEINE MONOHYDRATE IMPURITY E [EP IMPURITY], CODEINE PHOSPHATE HEMIHYDRATE IMPURITY E [EP IMPURITY], CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY E [EP IMPURITY], CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY E [EP IMPURITY], 4,5alpha-Epoxy-3-methoxy-17-methyl-7,8-didehydromorphinan-6alpha,10xi-diol, (5.ALPHA.,6.ALPHA.)-7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6,10-DIOL, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6,10-diol, 4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYL-7,8-DIDEHYDROMORPHINAN-6.ALPHA.,10.XI.-DIOL, Morphinan-6,10-diol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, MORPHINAN-6,10-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, (5.ALPHA.,6.ALPHA.)-, 10-Hydroxycodeine (1mg/ml in Acetonitrile), CODEINE MONOHYDRATE IMPURITY E (EP IMPURITY), CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY E (EP IMPURITY), CODEINE PHOSPHATE HEMIHYDRATE IMPURITY E (EP IMPURITY), CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY E (EP IMPURITY), (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-morphinan-6,10-diol, Codeine, 10-hydroxy- (7CI), Morphinan-6a,10-diol, 7,8-didehydro-4,5a-epoxy-3-methoxy-17-methyl- (8CI), 10-Hydroxycodeine, NSC 63826, Codeine Imp. E (EP), Codeine monohydrate impurity E, SCHEMBL918542, Morphinan-6,10-diol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5a,6a)-, DTXSID501316239, Codeine phosphate hemihydrate impurity E, Codeine hydrochloride dihydrate impurity E, Codeine phosphate sesquihydrate impurity E, Morphinan-6,10-diol,7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-,(5a,6a)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.2 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCCC45C(CCCC34)CC(C1)C25 |
| Np Classifier Class | Isoquinoline alkaloids, Morphinan alkaloids |
| Deep Smiles | COcccccc6O[C@@H][C@]5CCN[C@H]C%11O))[C@@H]6C=C[C@@H]%10O))))))C |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Morphinans |
| Scaffold Graph Node Level | C1CC2CC3NCCC45C(CCCC34)OC(C1)C25 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 539.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Iupac Name | (4S,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,13-diol |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.0 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H21NO4 |
| Scaffold Graph Node Bond Level | C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5 |
| Inchi Key | ZDGQZOCAKDGPRA-NMDMOAIDSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 1.0 |
| Synonyms | 10-hydroxycodeine |
| Esol Class | Very soluble |
| Functional Groups | CC=CC, CN(C)C, CO, cOC |
| Compound Name | 10-Hydroxycodeine |
| Exact Mass | 315.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 315.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 315.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H21NO4/c1-19-8-7-18-10-4-5-11(20)17(18)23-16-12(22-2)6-3-9(13(16)18)15(21)14(10)19/h3-6,10-11,14-15,17,20-21H,7-8H2,1-2H3/t10-,11-,14-,15?,17-,18-/m0/s1 |
| Smiles | CN1CC[C@]23[C@@H]4[C@H]1C(C5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279