Hydrocodone hydrochlorideProduct ingredient for Hydrocodone

Name
Hydrocodone hydrochloride
Drug Entry
Hydrocodone

Hydrocodone is a synthetic opioid derivative of codeine.14 It is commonly used in combination with acetaminophen to control moderate to severe pain. Historically, hydrocodone has been used as a cough suppressant although this has largely been replaced by dextromethorphan in current cough and cold formulations. Hydrocodone's more potent metabolite, hydromorphone has also found wide use as an analgesic and is frequently used in cases of severe pain. The FDA first approved Hydrocodone for use as part of the cough suppressant syrup Hycodan in March of 1943.17

Accession Number
DBSALT002210
Structure
Synonyms
Hydrocodone HCL
UNII
QKZ0920OV3
CAS Number
25968-91-6
Weight
Average: 335.83
Monoisotopic: 335.1288213
Chemical Formula
C18H22ClNO3
InChI Key
GCJAEXSZUXBMFS-RNWHKREASA-N
InChI
InChI=1S/C18H21NO3.ClH/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;/h3,6,11-12,17H,4-5,7-9H2,1-2H3;1H/t11-,12+,17-,18-;/m0./s1
IUPAC Name
(1S,5R,13R,17R)-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 hydrochloride
SMILES
Cl.COC1=C2O[C@H]3C(=O)CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
ChemSpider
20014295
Predicted Properties
PropertyValueSource
Water Solubility0.797 mg/mLALOGPS
logP2.13ALOGPS
logP1.96Chemaxon
logS-2.6ALOGPS
pKa (Strongest Acidic)18Chemaxon
pKa (Strongest Basic)8.61Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area38.77 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity82.74 m3·mol-1Chemaxon
Polarizability32.02 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleNoChemaxon