Piroxicam O-|A-D-Glucuronide
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Basic information
- CAS
108929-12-0- Standard SMILES
CN1C(C(=O)Nc2ccccn2)=C(O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc2S1(=O)=O- InChIKey
KDCQAKWMMCEUEI-DQSYDGHTSA-N- Molecular formula
- C21H21N3O10S
- Average molar mass
- 507.5 g/mol
- Monoisotopic mass
- 507.09476505
Names & identifiers
- Preferred name
- Piroxicam O-|A-D-Glucuronide
- IUPAC
- (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1λ6,2-benzothiazin-4-yl]oxy]oxane-2-carboxylic acid
- English name
- PiroxicaM O-β-D-Glucuronide
- Molecular formula
- C21H21N3O10S
- Molecular weight
- 507.47
Names & synonyms
108929-12-0(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]oxane-2-carboxylic acidPiroxicam O-|A-D-GlucuronidePIROXICAM O-BETA-D-GLUCURONIDEDTXSID80858324Piroxicam O-beta-D-GlucuronideDISCONTINUED, see P5100152-Methyl-1,1-dioxo-3-[(pyridin-2-yl)carbamoyl]-1,2-dihydro-1lambda~6~,2-benzothiazin-4-yl beta-D-glucopyranosiduronic acidPiroxicaM O-β-D-GlucuronidePiroxicam O-β-D-Glucuronide DISCONTINUED, see P5100152-Methyl-3-[(2-pyridinylaMino)carbonyl]-2H-1,2-benzothiazin-4-yl β-D-Glucopyranosiduronic Acid S,S-Dioxide2-Methyl-1,1-dioxido-3-[(2-pyridinylaMino)carbonyl]-2H-1,2-benzothiazin-4-yl β-D-Glucopyranosiduronic Acidβ-D-Glucopyranosiduronic acid, 2-methyl-1,1-dioxido-3-[(2-pyridinylamino)carbonyl]-2H-1,2-benzothiazin-4-yl
Database identifiers
- CAS
108929-12-0- PubChem CID
- 71751702
- DTXSID
DTXSID80858324
Properties
Computed structural propertiesFilling in
- XLogP
- 1
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 967
Physicochemical properties
- Density
- 1.73 · 1.73±0.1 g/cm3(Predicted)
- pka
- 2.8 · 2.80±0.70(Predicted)
Chemistry & industry
Applications
UsesA metabolite of the cyclooxygenase inhibitor Piroxicam (P510010).
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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