Nalorphine
PubChem CID: 5284595
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| Compound Synonyms | Nalorphine, Allorphine, Anthorphine, Antorphine, Nalorphinium, Antorfin, Antorphin, Nalorfina, Nalorphin, Anarcon, Nallin, Norfin, 62-67-9, Acetorfin [Czech], Nalline, Nalorfina [DCIT], Nalorphinum, Acetorfin, Normorphine, N-allyl-, Nalorphine [INN:BAN], Nalorphinum [INN-Latin], N-Allylnormorphine, N-Allyl-N-desmethylmorphine, Nalorphine serb, HSDB 3278, UNII-U59WB2WRY2, EINECS 200-546-1, U59WB2WRY2, N-allyl-normorphine, Nalorphine (INN), Allylnormorphine, NALORPHINE [MI], NALORPHINE [INN], NALORPHINE [HSDB], NALORPHINE [MART.], NALORPHINE [WHO-DD], Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propenyl)-, (5alpha,6alpha)-, N-Allyl-7,8-dehydro-4,5-epoxy-3,6-dihydroxymorphinan, CHEBI:7458, DTXSID3023348, 7,8-Didehydro-4,5-epoxy-17-(2-propenyl)morphinan-3,6-diol, Morphinan-3,6-alpha-diol, 17-allyl-7,8-didehydro-4,5-alpha-epoxy-, DEA No. 9400, Nalorphinum (INN-Latin), NALORPHINE (MART.), Letidron, DEA Code 9400, MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-(2-PROPENYL)-(5.ALPHA.,6.ALPHA.)-, (1S,5R,13R,14S,17R)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraene-10,14-diol, (4R,4aR,7S,7aR,12bS)-3-allyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol, (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol, NCGC00168255-01, (-)-Nalorphine, (1S,5R,13R,14S,17R)-4-(prop-2-en-1-yl)-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7(18),8,10,15-tetraene-10,14-diol, (4R,4aR,7S,7aR,12bS)-3-allyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7,9-diol, (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7,9-diol, Nalorphine serb (TN), SCHEMBL38920, 17-Allyl-7,8-didehydro-4,5.alpha.-epoxymorphinan-3,6.alpha.-diol, CHEMBL415284, DTXCID303348, GTPL1629, V03AB02, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propen-1-yl)-, (5.alpha.,6.alpha.)-, BDBM50367061, PDSP2_001572, DB11490, NS00008614, D08247, Q2622916, 17-Allyl-7,8-didehydro-4,5alpha-epoxymorphinan-3,6alpha-diol, Morphinan-3,6alpha-diol, 17-allyl-7,8-didehydro-4,5alpha-epoxy-, (5alpha,6alpha)-17-prop-2-en-1-yl-7,8-didehydro-4,5-epoxymorphinan-3,6-diol, (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-17-(2-propenyl)morphinan-3,6-diol, Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-(2-propen-1-yl)-, (5alpha,6alpha)-, MORPHINAN-3,6-DIOL, 7,8-DIDEHYDRO-4,5-EPOXY-17-(2-PROPENYL)-(5ALPHA,6ALPHA)-, 200-546-1 |
|---|---|
| Topological Polar Surface Area | 52.9 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 549.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 5.0 |
| Uniprot Id | P33535, P41144, P35372, P33534, Q99720, P41145, P41143, Q9HAW8, P35503, P22310, Q9HAW9, P54855, P16662, P22309, O94925 |
| Iupac Name | (4R,4aR,7S,7aR,12bS)-3-prop-2-enyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol |
| Prediction Hob | 1.0 |
| Target Id | NPT296, NPT272, NPT271, NPT145 |
| Xlogp | 1.9 |
| Molecular Formula | C19H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UIQMVEYFGZJHCZ-SSTWWWIQSA-N |
| Fcsp3 | 0.4736842105263157 |
| Logs | -2.731 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.522 |
| Compound Name | Nalorphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 311.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 311.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 311.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0034056782608696 |
| Inchi | InChI=1S/C19H21NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h2-6,12-13,15,18,21-22H,1,7-10H2/t12-,13+,15-,18-,19-/m0/s1 |
| Smiles | C=CCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](C=C4)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all