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Ethylmorphine

PubChem CID: 5359271

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Compound Synonyms Ethylmorphine, Codethyline, DIONINE, 76-58-4, 3-Ethoxymorphine, 3-O-Ethylmorphine, Morphine, ethyl-, Ethyl morphine, Ethylmorphine [BAN], UNII-RWO67D87EU, EINECS 200-970-7, RWO67D87EU, Dionin, Ethylmorphine (BAN), DTXSID1046760, R05DA01, ETHYLMORPHINE [MI], ETHYLMORPHINE [WHO-DD], CHEBI:4902, Ethomorphine, DTXCID9026760, IDS-NE-005(SECT.2), NCGC00168251-01, Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-ethoxy-17-methyl-, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-ethoxy-17-methyl-, (5-alpha,6-alpha)-, (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, (5.ALPHA.,6.ALPHA.)-7,8-DIDEHYDRO-4,5-EPOXY-3-ETHOXY-17-METHYLMORPHINAN-6-OL, Ethylmorphine (1.0 mg/mL in Methanol), (1S,5R,13R,14S,17R)-10-ethoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10,15-tetraen-14-ol, Morphine, 3-O-ethyl-, DEA No. 9190, (1S,5R,13R,14S,17R)-10-ethoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.0^(1,13).0^(5,17).0^(7,18))octadeca-7(18),8,10,15-tetraen-14-ol, (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol, (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinoline-7-ol, (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-ethoxy-17-methyl-, (5alpha,6alpha)-, Morphine 3-ethyl ether, SCHEMBL24971, CHEMBL1712170, Tox21_112610, MFCD00083327, Ethylmorphine 1.0 mg/ml in Methanol, DB01466, CAS-76-58-4, NS00008572, C07537, D07929, Q554881, Morphinan-6-ol,7,8-didehydro-4,5-epoxy-3-ethoxy-17-methyl-,(5a,6a)-, Morphinan-6alpha-ol, 7,8-didehydro-4,5alpha-epoxy-3-ethoxy-17-methyl-, Novartis Brand of Ethylmorphine Hydrochloride, (5alpha,6alpha)-Isomer, (5ALPHA,6ALPHA)-7,8-DIDEHYDRO-4,5-EPOXY-3-ETHOXY-17-METHYLMORPHINAN-6-OL, Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-ethoxy-17-methyl-, (5-alpha,6-alpha)-(9CI)
Topological Polar Surface Area 41.9
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 23.0
Isotope Atom Count 0.0
Molecular Complexity 523.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 5.0
Uniprot Id O15648, P25094, Q9NUW8, n.a.
Iupac Name (4R,4aR,7S,7aR,12bS)-9-ethoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Prediction Hob 1.0
Xlogp 1.5
Molecular Formula C19H23NO3
Prediction Swissadme 1.0
Inchi Key OGDVEMNWJVYAJL-LEPYJNQMSA-N
Fcsp3 0.5789473684210527
Logs -2.531
Rotatable Bond Count 2.0
Logd 1.564
Compound Name Ethylmorphine
Prediction Hob Swissadme 1.0
Exact Mass 313.168
Formal Charge 0.0
Monoisotopic Mass 313.168
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 313.4
Covalent Unit Count 1.0
Total Atom Stereocenter Count 5.0
Total Bond Stereocenter Count 0.0
Esol -2.7954048782608694
Inchi InChI=1S/C19H23NO3/c1-3-22-15-7-4-11-10-13-12-5-6-14(21)18-19(12,8-9-20(13)2)16(11)17(15)23-18/h4-7,12-14,18,21H,3,8-10H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1
Smiles CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CCN4C)[C@@H](O2)[C@H](C=C5)O)C=C1
Nring 5.0
Defined Bond Stereocenter Count 0.0

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  • 5. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
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  • 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:
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