Buprenorphine Beta-D-Glucuronide

cas: 101224-22-0 — see every product listed under this CAS number, including other names

Buprenorphine Beta-D-Glucuronide (CAS 101224-22-0) is a chemical reagent available from Chemat. Available pack sizes: 10mg, 1mg. Offered by: TRC.

brandTRC
catalog numberTRC-B689580-10MG
cas101224-22-0
size10mg
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Structural formula: {0} (CAS {1})

(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CAS 101224-22-0) is a chemical compound with the molecular formula C35H49NO10 and a molecular weight of 643.8 g/mol. IUPAC name: (2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid. InChIKey: CZULHKGIAJASAA-WWIHBJMFSA-N.

Identity
Molecular formulaC35H49NO10
Molecular weight643.8 g/mol
IUPAC name(2S,3S,4S,5R,6S)-6-[[(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(2S)-2-hydroxy-3,3-dimethylbutan-2-yl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
InChIKeyCZULHKGIAJASAA-WWIHBJMFSA-N
SMILESC[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)O)O)O)O)O4)CC8CC8)OC)(C(C)(C)C)O

Computed by PubChem (NCBI)

Synonyms: Buprenorphine 3-Glucuronide, Buprenorphine-3-O-glucuronide, Buprenorphine Glucuronide, Buprenorphine-3-Beta-D-glucuronide, Buprenorphine beta-D-Glucuronide (100ug/ml in Methanol), Buprenorphine 3-beta-D-Glucuronide, Buprenorphine Beta-D-Glucuronide, Buprenorphine-3-Beta-D-glucuronide,0.1mg/ml in Methanol, Buprenorphine 3-beta-D-Glucuronide 0.1 mg/ml in Methanol, Buprenorphine-3-Beta-D-glucuronide, 0.1mg/ml in Acetonitrile/Water : 1/1
Isomers (same molecular formula)
[(1S,2R,3R,4R,5S,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate C35H49NO10
[(1S,2R,3R,4R,5R,6S,8R,9R,13S,16S,17R,18R)-8-acetyloxy-11-ethyl-5-hydroxy-6,16,18-trimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] 4-methoxybenzoate C35H49NO10

Also listed as

Buprenorphine b-D-Glucuronide TRC CAS 101224-22-0
Buprenorphine 3-beta-D-Glucuronide LoGiCal CAS 101224-22-0
Buprenorphine 3-beta-D-Glucuronide 0.1 mg/ml in Methanol LoGiCal CAS 101224-22-0
Buprenorphine-3-Beta-D-glucuronide Lipomed CAS 101224-22-0
Buprenorphine-3-Beta-D-glucuronide, 1mg/ml in Acetonitrile/Water : 1/1 Lipomed CAS 101224-22-0
Buprenorphine-3-Beta-D-glucuronide, 0.1mg/ml in Methanol Lipomed CAS 101224-22-0
Buprenorphine beta-D-Glucuronide (100ug/ml in Methanol) TRC CAS 101224-22-0