Cas no 41444-62-6 (CODEINE PHOSPHATE HEMIHYDRATE)

CODEINE PHOSPHATE HEMIHYDRATE structure
CODEINE PHOSPHATE HEMIHYDRATE structure
Product Name:CODEINE PHOSPHATE HEMIHYDRATE
CAS No:41444-62-6
MF:C36H50N2O15P2
MW:812.734133243561
CID:333887
PubChem ID:6321303
Update Time:2025-04-19

CODEINE PHOSPHATE HEMIHYDRATE Chemical and Physical Properties

Names and Identifiers

    • CODEINE PHOSPHATE HEMIHYDRATE
    • CODEINE PHOSPHATE
    • CODEINE PHOSPHATE (CII), USP
    • Codein phosphate hemihydrate
    • CODEINEPHOSPHATE,USP
    • CODEINIUM PHOSPHATE HEMIHYDRATE
    • MORPHINE-3-METHYL ETHER HEMIHYDRATE
    • N-METHYLNORCODEINE HEMIHYDRATE
    • Codeine (phosphate hydrate)
    • Codeine (TN)
    • Q27279257
    • CODEINE PHOSPHATE HEMIHYDRATE [EP MONOGRAPH]
    • CODEINE PHOSPHATE HEMIHYDRATE [WHO-IP]
    • DTXSID20904612
    • UNII-GSL05Y1MN6
    • Codeine phosphate bp
    • MYPHETANE DC COMPONENT CODEINE PHOSPHATE
    • CODEINI PHOSPHAS [WHO-IP LATIN]
    • MORPHINAN-6-OL, 7,8-DIDEHYDRO-4,5-EPOXY-3-METHOXY-17-METHYL-, (5.ALPHA.,6.ALPHA.)-, PHOSPHATE (1:1) (SALT), HEMIHYDRATE
    • 7,8-Didehydro-4,5alpha-epoxy-3-methoxy-17-methylmorphinan-6alpha-ol phosphate (1:1) (salt) hemihydrate
    • CODEINE PHOSPHATE CII [USP-RS]
    • CODEINE PHOSPHATE COMPONENT OF AMBENYL
    • Colrex Compound
    • CODEINE PHOSPHATE HEMIHYDRATE [WHO-DD]
    • CODEINE PHOSPHATE HYDRATE [JAN]
    • CODEINE PHOSPHATE COMPONENT OF MYPHETANE DC
    • BROMANYL COMPONENT CODEINE PHOSPHATE
    • CODEINE PHOSPHATE COMPONENT OF TRIACIN-C
    • Soma Compound (+) Codeine
    • CODEINE PHOSPHATE COMPONENT OF CODRIX
    • AMBENYL COMPONENT CODEINE PHOSPHATE
    • Codeine phosphate cii
    • 41444-62-6
    • CODEINE PHOSPHATE [USP MONOGRAPH]
    • (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;hydrate
    • CODEINE PHOSPHATE [WHO-IP]
    • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6alpha)-, phosphate (1:1) (salt), hemihydrate
    • GSL05Y1MN6
    • TRIACIN-C COMPONENT CODEINE PHOSPHATE
    • bis((4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol) bis(phosphate) hydrate
    • CODEINE PHOSPHATE COMPONENT OF BROMANATE DC
    • CODRIX COMPONENT CODEINE PHOSPHATE
    • CODEINE PHOSPHATE COMPONENT OF BROMANYL
    • DIMETANE-DC COMPONENT CODEINE PHOSPHATE
    • Codeine phosphate (USP)
    • CODEINE PHOSPHATE [VANDF]
    • Codeine phosphate hydrate (JP17)
    • Codeine phosphate [USP:BAN:JAN]
    • D02101
    • CODEINE PHOSPHATE [ORANGE BOOK]
    • CODEINE PHOSPHATE COMPONENT OF DIMETANE-DC
    • BROMANATE DC COMPONENT CODEINE PHOSPHATE
    • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.,6.alpha.)-, phosphate (salt), hydrate (2:2:1)
    • Codeine.phosphate.hemihydrate
    • 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
    • InChI Key： DKSZLDSPXIWGFO-BLOJGBSASA-N
    • SMILES： P(=O)(O)(O)O.P(=O)(O)(O)O.O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)O)OC.O1C2=C(C=CC3C[C@@H]4[C@@H]5C=C[C@@H]([C@H]1[C@@]5(C=32)CCN4C)O)OC.O

Computed Properties

  • Exact Mass: 415.14000
  • Monoisotopic Mass: 812.26864289g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 17
  • Heavy Atom Count: 55
  • Rotatable Bond Count: 2
  • Complexity: 558
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 240?2

Experimental Properties

  • PSA: 138.73000
  • LogP: 0.44610

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