1.0 2010-04-08 22:10:01 UTC 2019-11-26 03:06:17 UTC FDB012159 Codeine N-oxide Alkaloid from Papaver somniferum (opium poppy). Codeine N-oxide is found in opium poppy. Codeigene Codeine aminoxyde Codeine N-oxide Codeine-n-oxide Genocodein Genocodeine C18H21NO4 315.3636 315.147058165 14-hydroxy-10-methoxy-4-methyl-12-oxa-4λ⁵-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-4-one 14-hydroxy-10-methoxy-4-methyl-12-oxa-4λ⁵-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-4-one 3688-65-1 COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5(C)=O InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 BDLSDHWCOJPHIE-UHFFFAOYSA-N belongs to the class of organic compounds known as morphinans. These are polycyclic compounds with a four-ring skeleton with three condensed six-member rings forming a partially hydrogenated phenanthrene moiety, one of which is aromatic while the two others are alicyclic. Morphinans Organic compounds Alkaloids and derivatives Morphinans Aromatic heteropolycyclic compounds Alkyl aryl ethers Anisoles Azacyclic compounds Coumarans Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds Oxacyclic compounds Phenanthrenes and derivatives Piperidines Secondary alcohols Tetralins Trialkyl amine oxides Trisubstituted amine oxides and derivatives Alcohol Alkyl aryl ether Anisole Aromatic heteropolycyclic compound Azacycle Benzenoid Coumaran Ether Hydrocarbon derivative Morphinan N-oxide Organic nitrogen compound Organic oxide Organic oxygen compound Organic zwitterion Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Phenanthrene Piperidine Secondary alcohol Tetralin Trialkyl amine oxide Trisubstituted n-oxide logp -0.48 ALOGPS logs -3.36 ALOGPS solubility 1.38e-01 g/l ALOGPS melting_point Mp 231-232° logp 0.22 ChemAxon pka_strongest_acidic 13.78 ChemAxon pka_strongest_basic 2.75 ChemAxon iupac 14-hydroxy-10-methoxy-4-methyl-12-oxa-4λ⁵-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-4-one ChemAxon average_mass 315.3636 ChemAxon mono_mass 315.147058165 ChemAxon smiles COC1=C2OC3C(O)C=CC4C5CC(C=C1)=C2C34CCN5(C)=O ChemAxon formula C18H21NO4 ChemAxon inchi InChI=1S/C18H21NO4/c1-19(21)8-7-18-11-4-5-13(20)17(18)23-16-14(22-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3 ChemAxon inchikey BDLSDHWCOJPHIE-UHFFFAOYSA-N ChemAxon polar_surface_area 65.57 ChemAxon refractivity 86.65 ChemAxon polarizability 33.15 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15726 Specdb::CMs 43602 Specdb::CMs 136028 Specdb::CMs 143762 Specdb::NmrOneD 123818 Specdb::NmrOneD 123819 Specdb::NmrOneD 123820 Specdb::NmrOneD 123821 Specdb::NmrOneD 123822 Specdb::NmrOneD 123823 Specdb::NmrOneD 123824 Specdb::NmrOneD 123825 Specdb::NmrOneD 123826 Specdb::NmrOneD 123827 Specdb::NmrOneD 123828 Specdb::NmrOneD 123829 Specdb::NmrOneD 123830 Specdb::NmrOneD 123831 Specdb::NmrOneD 123832 Specdb::NmrOneD 123833 Specdb::NmrOneD 123834 Specdb::NmrOneD 123835 Specdb::NmrOneD 123836 Specdb::NmrOneD 123837 Specdb::MsMs 300862 Specdb::MsMs 300863 Specdb::MsMs 300864 Specdb::MsMs 343234 Specdb::MsMs 343235 Specdb::MsMs 343236 Specdb::MsMs 2742859 Specdb::MsMs 2742860 Specdb::MsMs 2742861 Specdb::MsMs 2935274 Specdb::MsMs 2935275 Specdb::MsMs 2935276 HMDB33948 #<Reference:0x000055ce3026a7b0> Opium poppy Type 1 specific Papaver somniferum 3469