Hydrocodone bitartrateProduct ingredient for Hydrocodone

Name
Hydrocodone bitartrate
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 Historically, hydrocodone has been used as a cough suppressant although this has largely been replaced by dextromethorphan in current cough and cold formulations.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
DBSALT001233
Structure
Synonyms
Not Available
UNII
NO70W886KK
CAS Number
34195-34-1
Weight
Average: 988.987
Monoisotopic: 988.389986329
Chemical Formula
C44H64N2O23
InChI Key
JMBRWJAVUIITGV-LNNMZZBZSA-N
InChI
InChI=1S/2C18H21NO3.2C4H6O6.5H2O/c2*1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;2*5-1(3(7)8)2(6)4(9)10;;;;;/h2*3,6,11-12,17H,4-5,7-9H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10);5*1H2/t2*11-,12+,17-,18-;2*1-,2-;;;;;/m0011...../s1
IUPAC Name
bis((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) bis((2R,3R)-2,3-dihydroxybutanedioic acid) pentahydrate
SMILES
O.O.O.O.O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.O[C@H]([C@@H](O)C(O)=O)C(O)=O.COC1=C2O[C@H]3C(=O)CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C.COC1=C2O[C@H]3C(=O)CC[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
ChemSpider
21864751
ChEBI
5780
Wikipedia
Hydrocodone
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 Count8Chemaxon
Refractivity82.74 m3·mol-1Chemaxon
Polarizability32.02 Å3Chemaxon
Number of Rings10Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleYesChemaxon
MDDR-like RuleYesChemaxon