General Information of the Compound
| Compound ID |
CP0048256
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| Compound Name |
10,17-dihydroxy-4-methyl-(13R,17S)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10-trien-14-one
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| Synonyms |
Oxymorphone
Oxymorphone (abuse-resistant, pain)
Oxymorphone (abuse-resistant, pain), Pain Therapeutics/ King Pharmaceuticals
Oxymorphone (abuse-resistant, pain), Pain Therapeutics/Pfizer
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| Structure |
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| Formula |
C17H19NO4
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| Molecular Weight |
301.342
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| Canonical SMILES |
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@]3(O)CCC4=O)ccc5O
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| InChI |
InChI=1S/C17H19NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,12,15,19,21H,4-8H2,1H3/t12-,15+,16+,17-/m1/s1
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| InChIKey |
UQCNKQCJZOAFTQ-ISWURRPUSA-N
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| CAS |
76-41-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01200, Delta-type opioid receptor
Protein ID: PT01791, Delta-type opioid receptor
Protein ID: PT00983, Kappa-type opioid receptor
Protein ID: PT01460, Kappa-type opioid receptor
Protein ID: PT01515, Mu-type opioid receptor
Protein ID: PT02699, Mu-type opioid receptor
Protein ID: PT01549, Mu-type opioid receptor
Clinical Information about the Compound