Codeine phosphate sesquihydrate

Base Information

• Chemical Name: Codeine phosphate sesquihydrate
• CAS No.: 5913-76-8
• Molecular Formula: C18H21NO3•H3O4P•3/2H2O
• Molecular Weight: 424.38
• UNII: BKA0632GWS
• DSSTox Substance ID: DTXSID20207872
• Wikidata: Q27274723
• Mol file: 5913-76-8.mol

Synonyms:Codeine phosphate sesquihydrate;5913-76-8;Codeine, phosphate, sesquihydrate;UNII-BKA0632GWS;BKA0632GWS;Codeine phosphate, sesquihydrate;(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol;phosphoric acid;trihydrate;Morphinan-6-alpha-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-, phosphate, sesquihydrate (3:3:2);DTXSID20207872;C18H21NO3.H3O4P.3/2H2O;LS-91933;CODEINE PHOSPHATE SESQUIHYDRATE [WHO-DD];CODEINE PHOSPHATE SESQUIHYDRATE [WHO-IP];C18-H21-N-O3.H3-O4-P.3/2H2-O;CODEINE PHOSPHATE SESQUIHYDRATE [EP MONOGRAPH];Q27274723;7,8-DIDEHYDRO-4,5.ALPHA.-EPOXY-3-METHOXY-17-METHYLMORPHINAN-6.ALPHA.-OL PHOSPHATE SESQUIHYDRATE;Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-, phosphate (1:1) (salt), sesquihydrate;Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, phosphate (1:1) (salt), sesquihydrate, (5.alpha.,6.alpha.)-;Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-, phosphate (1:1) (salt), sesquihydrate

Chemical Property of Codeine phosphate sesquihydrate

Chemical Property:

• Vapor Pressure: 2.47E-09mmHg at 25°C
• Boiling Point: 462°Cat760mmHg
• Flash Point: 233.2°C
• PSA: 286.69000
• Density: g/cm³
• LogP: 0.82790
• Solubility.: Freely soluble in water, slightly soluble in ethanol (96 per cent).
• Hydrogen Bond Donor Count: 11
• Hydrogen Bond Acceptor Count: 19
• Rotatable Bond Count: 2
• Exact Mass: 848.28977225
• Heavy Atom Count: 57
• Complexity: 558

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O
• Isomeric SMILES: CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@H](C=C4)O.O.O.O.OP(=O)(O)O.OP(=O)(O)O

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