497
  Mrv1909 03102001322D          

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M  END
> <DATABASE_ID>
DB00497

> <DATABASE_NAME>
drugbank

> <SMILES>
COC1=C2O[C@H]3C(=O)CC[C@@]4(O)[C@H]5CC(C=C1)=C2[C@@]34CCN5C

> <INCHI_IDENTIFIER>
InChI=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

> <INCHI_KEY>
BRUQQQPBMZOVGD-XFKAJCMBSA-N

> <FORMULA>
C18H21NO4

> <MOLECULAR_WEIGHT>
315.3636

> <EXACT_MASS>
315.147058165

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
44

> <JCHEM_AVERAGE_NEUTRAL_MICROSPECIES_CHARGE>
0.9833033402787329

> <JCHEM_AVERAGE_POLARIZABILITY>
32.79396796732389

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1S,5R,13R,17S)-17-hydroxy-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one

> <ALOGPS_LOGP>
1.04

> <JCHEM_LOGP>
1.0348653926666662

> <ALOGPS_LOGS>
-1.75

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NEUTRAL_CHARGE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
18.98373693541559

> <JCHEM_PKA_STRONGEST_ACIDIC>
13.56851865805893

> <JCHEM_PKA_STRONGEST_BASIC>
8.770065063573933

> <JCHEM_POLAR_SURFACE_AREA>
59.00000000000001

> <JCHEM_REFRACTIVITY>
84.04180000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.59e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
ENTA

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DB00497

> <SECONDARY_ACCESSION_NUMBERS>
APRD00387

> <DRUG_GROUPS>
approved; illicit; investigational

> <GENERIC_NAME>
Oxycodone

> <SYNONYMS>
(-)-14-Hydroxydihydrocodeinone; 4,5-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; 4,5alpha-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; 4,5α-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-one; Dihydro-14-hydroxycodeinone; Dihydrohydroxycodeinone; Dihydroxycodeinone; Oxicodona; Oxycodone; Oxycodonum

> <PRODUCTS>
Act Oxycodone CR; Apo-oxycodone CR; Apo-oxycodone/acet; Combunox; Endocet; Endodan; Magnacet; Nalocet; Ntp-oxycodone Acetaminophen; Nu-oxycodone/acet; OXYCODONE HCl; Oxaydo; Oxecta; Oxy.ir; OxyContin; Oxycodone; Oxycodone Apap; Oxycodone HCl; Oxycodone HCl Controlled-Release; Oxycodone Hydchloride; Oxycodone Hydrochloride; Oxycodone Hydrochloride Controlled-release; Oxycodone Hydrochloride Immediate-release; Oxycodone Hydrochloride Oral Solution; Oxycodone Hydrochloride and Acetaminophen; Oxycodone Hydrochloride and Aspirin; Oxycodone Hydrochloride and Ibuprofen; Oxycodone and Acetaminophen; Oxycodone and Aspirin; Oxycodone hydrochloride; Oxycodone hydrochloride and Ibuprofen; Oxycodone-acet; Oxycodone/APAP; Oxycodone/acet; Oxycodone/acetaminophen; Oxycodone/apap; Oxycontin; Oxycontin 10mg; Oxycontin 20mg; Oxycontin 40mg; Oxycontin 5mg; Oxycontin 80mg; Oxyneo; PMS-oxycodone; PMS-oxycodone - Acetaminophen; PMS-oxycodone CR; Percocet; Percocet-demi; Percodan; Percodan-demi; Primlev; Prolate; Ran-oxycodone CR; Riva-oxycodone CR; Rivacocet; Rivacodan; Roxicet; Roxicet 5/500; Roxicet Tab; Roxicodone; RoxyBond; Roxybond; Sandoz Oxycodone CR; Sandoz Oxycodone/acetaminophen; Supeudol; Supeudol 10; Supeudol 20; Supeudol 5; Targin; Targiniq ER; Teva-oxycocet; Teva-oxycodan; Teva-oxycodone CR; Troxyca ER; Tylox; Xartemis XR; Xolox; Xtampza ER

> <INTERNATIONAL_BRANDS>
Oxanest; OxyIR

> <SALTS>
Oxycodone hydrochloride; Oxycodone terephthalate

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