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Basic information
- CAS
71595-19-2- Standard SMILES
Cc1ccc(C(=O)c2ccc(CC(=O)O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)n2C)cc1- InChIKey
MEFIGCPEYJZFFC-ZFORQUDYSA-N- Molecular formula
- C21H23NO9
- Average molar mass
- 433.413 g/mol
- Monoisotopic mass
- 433.13728132
Names & identifiers
- Preferred name
- Tolmetin glucuronide
- IUPAC
- 1-O-{[1-Methyl-5-(4-methylbenzoyl)-1H-pyrrol-2-yl]acetyl}-beta-D-glucopyranuronic acid
- English name
- tolmetin glucuronide
- Molecular formula
- C21H23NO9
- Molecular weight
- 433.41
Names & synonyms
Tolmetin USP/EP/BPtolmetin glucuronideTolmetin -D-GlucuronideTolmetin β-D-GlucuronideTolmetin-Beta-D-GlucuronideTolmetin Sodium Impurity 147Tolmetin acyl-β-D-glucuronideTolMetin-acyl-beta-D-GlucuronideTolmetin β-D-Glucuronide, CAS 71595-19-2Tolmetin acyl-beta-D-glucuronide, Min. 95%
Database identifiers
- CAS
71595-19-2- PubChem CID
- 155656
- DTXSID
DTXSID50221824- ChEBI
CHEBI:168766- UNII
- GC783NL4J5
- Nikkaji
- J590.609A
Properties
Physicochemical properties
- Melting point
- 139 · 139-142°C
- Boiling point
- 706.1 · 706.1±60.0 °C(Predicted)
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- 2.68 · 2.68±0.70(Predicted)
- color
- White to Brown
- Stability
- Hygroscopic
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P321-P362+P364-P332+P313-P337+P313-P403+P233-P405-P501
Chemistry & industry
Applications
DescriptionTolmetin β-D-glucuronide is a major phase II metabolite of tolmetin . Tolmetin β-D-glucuronide has been classified into a ‘warning’ category in terms of its potential to cause idiosyncratic drug toxicity, based on its half-life in several in vitro systems.
UsesA metabolite of Tolmetin.
Suppliers16 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
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]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
BOC Sciences16314854226 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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