Levallorphan
PubChem CID: 5359371
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| Compound Synonyms | levallorphan, Naloxiphan, Lorfan, 152-02-3, Levallorphane, Levalorfano, 17-Allylmorphinan-3-ol, Levallofano [DCIT], Levallorphanum, Levallofano, Levalorfano [INN-Spanish], Levallorphane [INN-French], Levallorphanum [INN-Latin], Levallorphan [INN:BAN], N-Allyl-3-hydroxymorphinan, L-N-Allyl-3-hydroxymorphinan, (-)-3-Hydroxy-N-allylmorphinan, Levo-3-hydroxy-N-allyl morphinan, Morphinan-3-ol, 17-allyl-, Ro-1-7700, HSDB 2148, Morphinan, 17-allyl-3-hydroxy-, EINECS 205-799-1, DTXSID9023205, UNII-353613BU4U, LEVALLORPHAN [MI], LEVALLORPHAN [INN], 353613BU4U, LEVALLORPHAN [HSDB], Morphinan-3-ol, 17-allyl-, (-)-, LEVALLORPHAN [WHO-DD], CHEBI:6431, DTXCID703205, CHEMBL1254682, (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol, Levalorfano (INN-Spanish), Levallorphane (INN-French), Levallorphanum (INN-Latin), (1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo[7.5.3.0^{1,10}.0^{2,7}]heptadeca-2(7),3,5-trien-4-ol, Lorfan (Salt/Mix), CAS-152-02-3, Levallorphan tartrate (Salt/Mix), MCL 113, N-Allyl-3-hydroxymorphinan, NCGC00162247-02, (1R,9R,10R)-17-(prop-2-en-1-yl)-17-azatetracyclo(7.5.3.0^(1,10).0^(2,7))heptadeca-2(7),3,5-trien-4-ol, (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo(7.5.3.01,10.02,7)heptadeca-2(7),3,5-trien-4-ol, 17-prop-2-en-1-ylmorphinan-3-ol, Morphinan-3-ol, 17-(2-propen-1-yl)-, (-)-LEVALLORPHAN, SCHEMBL34060, (-)-17-allylmorphinan-3-ol, GTPL7209, (a^?-17-allylmorphinan-3-ol, OZYUPQUCAUTOBP-QXAKKESOSA-N, (levallorphan)17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol, 17-allyl-(1R,9R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol( Levallorphan), 17-allyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol (Levallorphan), Tox21_112005, BDBM50326673, AKOS040752523, Tox21_112005_1, DB00504, NCGC00162247-06, NS00008323, C07069, EN300-19767758, Q6534827, BRD-K30634073-046-01-0, 205-799-1 |
|---|---|
| Topological Polar Surface Area | 23.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 408.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Uniprot Id | P33535, P35372, O42275, Q9NUW8, n.a., P10275 |
| Iupac Name | (1R,9R,10R)-17-prop-2-enyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol |
| Prediction Hob | 1.0 |
| Target Id | NPT145 |
| Xlogp | 3.5 |
| Molecular Formula | C19H25NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | OZYUPQUCAUTOBP-QXAKKESOSA-N |
| Fcsp3 | 0.5789473684210527 |
| Logs | -3.669 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.19 |
| Compound Name | Levallorphan |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 283.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 283.194 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 283.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.869001571428571 |
| Inchi | InChI=1S/C19H25NO/c1-2-10-20-11-9-19-8-4-3-5-16(19)18(20)12-14-6-7-15(21)13-17(14)19/h2,6-7,13,16,18,21H,1,3-5,8-12H2/t16-,18+,19+/m0/s1 |
| Smiles | C=CCN1CC[C@]23CCCC[C@H]2[C@H]1CC4=C3C=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
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