Codeine phosphate hemihydrateProduct ingredient forCodeine
- Name
- Codeine phosphate hemihydrate
- 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
- Accession Number
- DBSALT001592
- Structure
-
Structure for Codeine phosphate hemihydrate (DBSALT001592)
- Synonyms
- Codeine phosphate/Codeine phosphate hydrate
- UNII
- GSL05Y1MN6
- CAS Number
- 41444-62-6
- Weight
-
Average: 812.743
Monoisotopic: 812.268642914 - Chemical Formula
- C36H50N2O15P2
- InChI Key
- DKSZLDSPXIWGFO-BLOJGBSASA-N
- InChI
-
InChI=1S/2C18H21NO3.2H3O4P.H2O/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*1-5(2,3)4;/h2*3-6,11-13,17,20H,7-9H2,1-2H3;2*(H3,1,2,3,4);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) bis(phosphoric acid) hydrate
- SMILES
-
O.OP(O)(O)=O.OP(O)(O)=O.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O.[H][C@@]12OC3=C(OC)C=CC4=C3[C@@]11CCN(C)[C@]([H])(C4)[C@]1([H])C=C[C@]2([H])O
- External Links
-
- ChemSpider
- 4881968
- 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 32.05 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
