Codeine sulfateProduct ingredient forCodeine

Show full entry for Codeine
Name
Codeine sulfate
Drug Entry
Codeine

The relief of pain (analgesia) is a primary goal for enhancing the quality of life of patients and for increasing the ability of patients to engage in day to day activities. Codeine, an opioid analgesic, was originally approved in the US in 1950 and is a drug used to decrease pain by increasing the threshold for pain without impairing consciousness or altering other sensory functions. Opiates such as codeine are derived from the poppy plant,Papaver somniferum(Papaveraceae).4

Codeine is utilized as a central analgesic, sedative, hypnotic, antinociceptive, and antiperistaltic agent, and is also recommended in certain diseases with incessant coughing.Label,4

See full entry for Codeine
Accession Number
DBSALT001843
Structure
MOL SDF PDB SMILES InChI
Similar Structures
Synonyms
Codeine sulfate trihydrate
UNII
11QV9BS0CB
CAS Number
6854-40-6
Weight
Average: 750.86
Monoisotopic: 750.303360852
Chemical Formula
C36H50N2O13S
InChI Key
BOLDZXRCJAJADM-AAXBYHQXSA-N
InChI
InChI=1S/2C18H21NO3.H2O4S.3H2O/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;1-5(2,3)4;;;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;(H2,1,2,3,4);3*1H2/t2*11-,12+,13-,17-,18-;;;;/m00..../s1
IUPAC Name
bis((1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.0¹,¹³.0⁵,¹⁷.0⁷,¹⁸]octadeca-7(18),8,10,15-tetraen-14-ol) sulfuric acid trihydrate
SMILES
O.O.O.OS(O)(=O)=O.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C.COC1=C2O[C@H]3[C@@H](O)C=C[C@H]4[C@H]5CC(C=C1)=C2[C@@]34CCN5C
ChemSpider
20100798
Wikipedia
Codeine
Predicted Properties
Property Value Source
Water Solubility 0.577 mg/mL ALOGPS
logP 1.2 ALOGPS
logP 1.34 Chemaxon
logS -2.7 ALOGPS
pKa (Strongest Acidic) 13.78 Chemaxon
pKa (Strongest Basic) 9.19 Chemaxon
Physiological Charge 1 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 1 Chemaxon
Polar Surface Area 41.93 Å2 Chemaxon
Rotatable Bond Count 2 Chemaxon
Refractivity 84.6 m3·mol-1 Chemaxon
Polarizability 32.16 Å3 Chemaxon
Number of Rings 10 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five No Chemaxon
Ghose Filter No Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon