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Basic information
- CAS
19237-53-7- Standard SMILES
O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1- InChIKey
NLOPFVNXNMEEDI-UNLLLRGISA-N- Molecular formula
- C13H14O8
- Average molar mass
- 298.247 g/mol
- Monoisotopic mass
- 298.06886741
Names & identifiers
- Preferred name
- 1-O-Benzoylhexopyranuronic acid
- IUPAC
- 1-O-Benzoyl-beta-D-glucopyranuronic acid
- English name
- benzoyl glucuronide
- Molecular formula
- C13H14O8
- Molecular weight
- 298.25
Names & synonyms
Benzoic acid-acyl-b-D-glucuronidebenzoyl glucuronideBenzoic Acid Acyl-2-D-glucuronideBenzoic acid acyl-β-D-glucuronideBenzoic acid-acyl-Beta-D-glucuronideβ-D-Glucopyranuronic acid, 1-benzoateBenzoic acid-acyl-beta-D-glucuronide min. 98%Benzoyl-acyl-beta-D-glucuronide, E210-acyl-beta-D-glucuronide
Database identifiers
- CAS
19237-53-7- PubChem CID
- 115145
- DTXSID
DTXSID90940901- ChEBI
CHEBI:168513- UNII
- OC94T61O9A
- Nikkaji
- J619.200I
Properties
Physicochemical properties
- Melting point
- 156 °C · >156°C (dec.)
- Boiling point
- 563.7 · 563.7±50.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 2.72 · 2.72±0.70(Predicted)
- color
- Off-White
- Stability
- Hygroscopic
- FDA UNII
- 94 T61O9A · OC94T61O9A
Chemistry & industry
Applications
UsesBenzoic Acid Acyl-β-D-glucuronide is in the class of 1-β-D-Acyl glucuronides (βGAs) which are potentially highly reactive metabolites which are capable of binding to protein molecules and resulting in adverse drug reactions observed in medications.
Suppliers9 total
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
Additional notes
DefinitionChEBI: Benzoyl glucuronide (Benzoic acid) is a glucosiduronic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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