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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

  • 1. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Papaver Argemone (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Papaver Bracteatum (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Papaver Caucasicum (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Papaver Dubium (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Papaver Sommiferum (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 19. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference: