Codeine EP Impurity C(codeine dimer)(controlled substance)

cas: 121395-47-9 — see every product listed under this CAS number, including other names

Codeine EP Impurity C(codeine dimer)(controlled substance) (CAS 121395-47-9) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

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catalog numberRM-C150703
cas121395-47-9
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Structural formula: {0} (CAS {1})

(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol (CAS 121395-47-9) is a chemical compound with the molecular formula C36H40N2O6 and a molecular weight of 596.7 g/mol. IUPAC name: (4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol. InChIKey: OOMWWUFQMYGNDH-SXWORITFSA-N.

Identity
Molecular formulaC36H40N2O6
Molecular weight596.7 g/mol
IUPAC name(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
InChIKeyOOMWWUFQMYGNDH-SXWORITFSA-N
SMILESCN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)OC)C6=C(C7=C8C(=C6)C[C@@H]9[C@H]1[C@]8(CCN9C)[C@@H](O7)[C@H](C=C1)O)OC

Computed by PubChem (NCBI)

Synonyms: 2,2'-Biscodeine, Codeine Dimer, O3,O3'-Dimethylpseudomorphine, Codeine phosphate hemihydrate impurity C [EP], Codeine hydrochloride dihydrate impurity C [EP], Codeine phosphate sesquihydrate impurity C [EP], CODEINE MONOHYDRATE IMPURITY C [EP IMPURITY], CODEINE PHOSPHATE HEMIHYDRATE IMPURITY C [EP IMPURITY], CODEINE HYDROCHLORIDE DIHYDRATE IMPURITY C [EP IMPURITY], CODEINE PHOSPHATE SESQUIHYDRATE IMPURITY C [EP IMPURITY]
Isomers (same molecular formula)
oxalic acid;bis(2-(2-phenoxyphenyl)piperidine) C36H40N2O6
(1R)-1-[[4-[2-hydroxy-5-[[(1S)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol C36H40N2O6
(1S)-1-[[4-[2-hydroxy-5-[[(1R)-7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol C36H40N2O6

Also listed as

2,2'-Biscodeine (1mg/ml in Acetonitrile) TRC CAS 121395-47-9
2,2'-Biscodeine (>90%) TRC CAS 121395-47-9
2,2'-Biscodeine TRC CAS 121395-47-9
7,7',8,8'-Tetradehydro-4,5alpha:4',5'alpha-diepoxy-3,3'-dimethoxy-17,17'-dimethyl-2,2'-bimorphinanyl-6alpha,6'alpha-diol (Codeine Dimer, Dimethyl Pseudomorphine) Mikromol CAS 121395-47-9