Codeine hydrate

Base Information

• Chemical Name: Codeine hydrate
• CAS No.: 6059-47-8
• Molecular Formula: C18H21 N O3 . H2 O
• Molecular Weight: 317.37952
• European Community (EC) Number: 641-609-7
• UNII: Q830PW7520
• DSSTox Substance ID: DTXSID20209391
• Wikidata: Q98915715
• NCI Thesaurus Code: C383
• RXCUI: 2670
• ChEMBL ID: CHEMBL369475
• Mol file: 6059-47-8.mol

Synonyms:codeine monohydrate;Codeine hydrate;6059-47-8;Codeine [USP:BAN];Codeine [BAN];UNII-Q830PW7520;Q830PW7520;DEA No. 9050;LEAN;7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol monohydrate;CODEINE [MART.];CHEMBL369475;CODEINE [USP MONOGRAPH];CODEINE COMPONENT OF TUZISTRA;TUZISTRA COMPONENT OF CODEINE;CODEINE MONOHYDRATE [EP MONOGRAPH];(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-ol;hydrate;Codeine (USP);CODEINE [VANDF];CODEINUM [HPUS];SCHEMBL3031563;C18H21NO3.H2O;DTXSID20209391;WRRSFOZOETZUPG-FFHNEAJVSA-N;CODEINE MONOHYDRATE [WHO-DD];CODEINE MONOHYDRATE [WHO-IP];C18-H21-N-O3.H2-O;Codeine monohydrate, analytical standard;CODEINUM MONOHYDRICUM [WHO-IP LATIN];D00195;Q27882110;(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol monohydrate;Morphinan-6.alpha.-ol, 7,8-didehydro-4,5.alpha.-epoxy-3-methoxy-17-methyl-, monohydrate;MORPHINAN-6-OL, 7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, MONOHYDRATE, (5.ALPHA.,6.ALPHA.)-;Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, monohydrate, (5alpha,6alpha)-

Chemical Property of Codeine hydrate

Chemical Property:

• Vapor Pressure: 2.47E-09mmHg at 25°C
• Melting Point: 155°C
• Boiling Point: 462°C at 760 mmHg
• Flash Point: 233.2°C
• Density: 1.295 g/cm3
• Storage Temp.: 2-8°C
• Water Solubility.: 8.26g/L(cold water)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 317.16270821
• Heavy Atom Count: 23
• Complexity: 509

Purity/Quality:

99%, ^*data from raw suppliers

Codeine monohydrate analytical standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(C=C4)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.O