Hydromorphone-3-glucuronide

cas: 40505-76-8 — see every product listed under this CAS number, including other names

Hydromorphone-3-glucuronide (CAS 40505-76-8) is a chemical reagent available from Chemat. Available pack sizes: 25mg, 50mg, 5mg. Offered by: TRC.

brandTRC
catalog numberTRC-H714745-25MG
cas40505-76-8
size25mg
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7aR,12bS)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 40505-76-8) is a chemical compound with the molecular formula C23H27NO9 and a molecular weight of 461.5 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(4R,4aR,7aR,12bS)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: VLSHIBYUEOPPRX-NSSRKTJTSA-N.

Identity
Molecular formulaC23H27NO9
Molecular weight461.5 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7aR,12bS)-3-methyl-7-oxo-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyVLSHIBYUEOPPRX-NSSRKTJTSA-N
SMILESCN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O[C@H]3C(=O)CC4

Computed by PubChem (NCBI)

Synonyms: Hydromorphone-3-glucuronide, Hydromorphone 3-glucuronide, Hydromorphone-3-glucuronide (1.0mg/ml in DMSO) SEE KIT4893, 17-Methyl-6-oxo-5alpha-4,5-epoxymorphinan-3-yl beta-D-glucopyranosiduronic acid
Isomers (same molecular formula)
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H27NO9
(2S,3S,4S,5R,6S)-6-[[(4R,4aR,7S,7aR,12bS)-7-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H27NO9
(2S,3S,4S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H27NO9
(2S,3S,5R,6R)-6-[[(4R,4aR,7S,7aR,12bS)-9-hydroxy-3-(trideuteriomethyl)-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H27NO9
(2S,3S,4S,5R,6R)-6-[[(7S,7aR)-9-methoxy-1,2,3,4,4a,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid C23H27NO9

Also listed as

Hydromorphone-3-glucuronide (1.0mg/ml in DMSO) SEE KIT4893 TRC CAS 40505-76-8