4'-Hydroxynalbuphine

cas: 1634639-64-7 — see every product listed under this CAS number, including other names

4'-Hydroxynalbuphine (CAS 1634639-64-7) is a chemical reagent available from Chemat. Available pack sizes: 100mg. Offered by: TRC.

brandTRC
catalog numberTRC-H232500-100MG
cas1634639-64-7
size100mg
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Structural formula: {0} (CAS {1})

(4R,4aS,7S,7aR,12bS)-3-[(3-hydroxycyclobutyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol (CAS 1634639-64-7) is a chemical compound with the molecular formula C21H27NO5 and a molecular weight of 373.4 g/mol. IUPAC name: (4R,4aS,7S,7aR,12bS)-3-[(3-hydroxycyclobutyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. InChIKey: IAKSTQFGGIDLOU-KLLXFUPUSA-N.

Identity
Molecular formulaC21H27NO5
Molecular weight373.4 g/mol
IUPAC name(4R,4aS,7S,7aR,12bS)-3-[(3-hydroxycyclobutyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
InChIKeyIAKSTQFGGIDLOU-KLLXFUPUSA-N
SMILESC1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC(C6)O)[C@H]([C@H]1O)OC5=C(C=C4)O)O

Computed by PubChem (NCBI)

Synonyms: 4'-Hydroxynalbuphine
Isomers (same molecular formula)
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate C21H27NO5
(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-3-oxido-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7,9-triol C21H27NO5
(4R,4aS,7S,7aR,12bS)-3-[(2-hydroxycyclobutyl)methyl]-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol C21H27NO5
(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-9-methoxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,10-triol C21H27NO5