Normorphine
PubChem CID: 5462508
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| Compound Synonyms | Normorphine, Desmethylmorphine, (-)-Normorphine, N-Normorphine, 466-97-7, N-Demethylmorphine, Normorfina, Normorphinum, Demethylmorphine, 4,5-Epoxy-3,6-dihydroxymorphin-7-ene, DEA No. 9313, UNII-XUI1Y24IMI, XUI1Y24IMI, Normorfina [INN-Spanish], Normorphinum [INN-Latin], Normorphine [INN:BAN:DCF], NSC 270042, IDS-NN-008, NORMORPHINE [MI], EINECS 207-381-4, NORMORPHINE [INN], NSC-270042, BRN 5297209, CHEBI:7633, Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-, Normorfina (INN-Spanish), Normorphinum (INN-Latin), 7,8-Didehydro-4,5alpha-epoxy-Morphinan-3,6alpha-diol, Morphinan-3,6-alpha-diol, 7,8-didehydro-4,5-alpha-epoxy-, Morphinan-3,6.alpha.-diol, 7,8-didehydro-4,5.alpha.-epoxy-, Normorphine (1mg/ml in Methanol), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-, (5alpha,6alpha)-, 4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride, CHEMBL1227, DTXCID6028945, Normorphine (7,8-Didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-, (5.alpha.,6.alpha.)-, (4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-7,9-diol, (4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol, 4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro(3,2-e)isoquinoline-7,9-diol, (5.ALPHA.,6.ALPHA.)-7,8-DIDEHYDRO-4,5-EPOXYMORPHINAN-3,6-DIOL HYDROCHLORIDE, SCHEMBL26387, GTPL1630, Normorphine 1.0 mg/ml in Methanol, Morphinan-3,6alpha-diol, 7,8-didehydro-4,5alpha-epoxy-(8CI), Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-, (5alpha,6alpha)-(9CI), 207-381-4 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 61.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CC2CC3CCCC45C(CCCC34)CC(C1)C25 |
| Np Classifier Class | Isoquinoline alkaloids, Morphinan alkaloids |
| Deep Smiles | O[C@H]C=C[C@@H][C@][C@H]6Occ5cC[C@H]9NCC%11)))))ccc6O |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Morphinans |
| Scaffold Graph Node Level | C1CC2CC3NCCC45C(CCCC34)OC(C1)C25 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 467.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P16662, n.a., P10275 |
| Iupac Name | (4R,4aR,7S,7aR,12bS)-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol |
| Prediction Hob | 1.0 |
| Class | Morphinans |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.3 |
| Superclass | Alkaloids and derivatives |
| Gsk 4 400 Rule | True |
| Molecular Formula | C16H17NO3 |
| Scaffold Graph Node Bond Level | C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ONBWJWYUHXVEJS-ZTYRTETDSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5 |
| Logs | -2.882 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 0.469 |
| Synonyms | Desmethylmorphine, Normorphine perchlorate, N-Demethylmorphine, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxymorphinan-3,6-diol hydrochloride, 4,5-Epoxy-3,6-dihydroxymorphin-7-ene, Normorphine hydrochloride, Normorphine sulfamate, (-)-Normorphine, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxymorphinan-3,6-diol, (5Α,6α)-7,8-didehydro-4,5-epoxymorphinan-3,6-diol, 4,5-Epoxy-3,6-dihydromorphin-7-ene, Demethylmorphine, N-Normorphine, Normorphine, normorphine |
| Esol Class | Very soluble |
| Functional Groups | CC=CC, CNC, CO, cO, cOC |
| Compound Name | Normorphine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 271.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 271.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 271.31 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -1.6370592 |
| Inchi | InChI=1S/C16H17NO3/c18-11-3-1-8-7-10-9-2-4-12(19)15-16(9,5-6-17-10)13(8)14(11)20-15/h1-4,9-10,12,15,17-19H,5-7H2/t9-,10+,12-,15-,16-/m0/s1 |
| Smiles | C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O |
| Nring | 5.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Morphinans |
| Np Classifier Superclass | Tyrosine alkaloids |
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