Products 66209-47-0

CAS 66209-47-0 is the registry number for Butorphanol tartrate Impurity 12. Offered by: Chemat Brand. Available pack sizes: on request.

Butorphanol tartrate Impurity 12
Chemat Brand
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  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1S,4aS,8aS)-4a,8a-dihydroxy-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]-cyclobutylmethanone (CAS 66209-47-0) is a chemical compound with the molecular formula C22H31NO4 and a molecular weight of 373.5 g/mol. IUPAC name: [(1S,4aS,8aS)-4a,8a-dihydroxy-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]-cyclobutylmethanone. InChIKey: IIEZWZWGPBASRS-BVSLBCMMSA-N.

Identity
Molecular formulaC22H31NO4
Molecular weight373.5 g/mol
IUPAC name[(1S,4aS,8aS)-4a,8a-dihydroxy-1-[(4-methoxyphenyl)methyl]-3,4,5,6,7,8-hexahydro-1H-isoquinolin-2-yl]-cyclobutylmethanone
InChIKeyIIEZWZWGPBASRS-BVSLBCMMSA-N
SMILESCOC1=CC=C(C=C1)C[C@H]2[C@]3(CCCC[C@@]3(CCN2C(=O)C4CCC4)O)O

Computed by PubChem (NCBI)

Synonyms: Butorphanol Tartrate Impurity 12
Isomers (same molecular formula)
(3E,5S)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione C22H31NO4
1-(3,5-dimethylphenoxy)-3-[[3-(3,5-dimethylphenoxy)-2-hydroxypropyl]amino]propan-2-ol C22H31NO4
(3E,5R)-3-[[(1S,2R,4aS,6R,8aR)-1,6-dimethyl-2-[(E)-prop-1-enyl]-4a,5,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-hydroxymethylidene]-5-(hydroxymethyl)-1-methylpyrrolidine-2,4-dione C22H31NO4
4-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxy-N,N-diethylbut-2-yn-1-amine oxide C22H31NO4
(2R)-N,N-dimethyl-2-phenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]butan-2-amine C22H31NO4
tert-butyl 4-[(5,6-dimethoxy-1H-inden-2-yl)methyl]piperidine-1-carboxylate C22H31NO4