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OOX

Summary
Name:14-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one
Synonyms:Oxycodone
Formula:C18 H21 N O4
Formal charge:0
Formula weight:315.364 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.0114-hydroxy-3-methoxy-17-methyl-5beta-4,5-epoxymorphinan-6-one
OpenEye OEToolkits2.0.7(4~{R},4~{a}~{S},7~{a}~{R},12~{b}~{S})-9-methoxy-3-methyl-4~{a}-oxidanyl-2,4,5,6,7~{a},13-hexahydro-1~{H}-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C1CCC2(O)C3Cc4ccc(OC)c5OC1C2(CCN3C)c54
InChIInChI1.03InChI=1S/C18H21NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-4,13,16,21H,5-9H2,1-2H3/t13-,16+,17+,18-/m1/s1
InChIKeyInChI1.03BRUQQQPBMZOVGD-XFKAJCMBSA-N
SMILES_CANONICALCACTVS3.385COc1ccc2C[C@H]3N(C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
SMILESCACTVS3.385COc1ccc2C[CH]3N(C)CC[C]45[CH](Oc1c24)C(=O)CC[C]35O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1CC[C@]23c4c5ccc(c4O[C@H]2C(=O)CC[C@]3([C@H]1C5)O)OC
SMILESOpenEye OEToolkits2.0.7CN1CCC23c4c5ccc(c4OC2C(=O)CCC3(C1C5)O)OC

218853

PDB entries from 2024-04-24

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