Basic information
- CAS
34017-15-7- Standard SMILES
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1- InChIKey
BZOGRYWIYJNLDE-NAHJCDBISA-N- Molecular formula
- C19H27NO10S
- Average molar mass
- 461.5 g/mol
- Monoisotopic mass
- 461.13556723
Names & identifiers
- Preferred name
- (2S,3S,4S,5R,6S)-6-[4-(dipropylsulfamoyl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- IUPAC
- (2S,3S,4S,5R,6S)-6-[4-(dipropylsulfamoyl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
- English name
- Probenecid Acyl -D-Glucuronide
- Molecular formula
- C19H27NO10S
- Molecular weight
- 461.48
Names & synonyms
34017-15-7Probenecid Glucuronide(2S,3S,4S,5R,6S)-6-[4-(dipropylsulfamoyl)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acidProbenecid Acyl Beta-D-Glucuronide >90%Probenecid Acyl ?-D-Glucuronide >90%Probenecid Acyl beta-D-Glucuronide >90per centProbenecid Acyl beta-D-GlucuronidePROBENECID ACYL -D-GLUCURONIDE(2S,3S,4S,5R,6S)-6-((4-(N,N-Dipropylsulfamoyl)benzoyl)oxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acidProbenecid Acyl |A-D-GlucuronideProbenecid acyl b-D-glucuronideC19H27NO10S
Show more names
robenecid Acyl β-D-GlucuronideProbenecid Acyl β-D-GlucuronideProbenecid Acyl β-D-Glucuronide >Probenecid Acyl β-D-Glucuronide >90%1-[p-(Dipropylsulfamoyl)benzoate] -D-Glucopyranuronic Acid1-[4-[(Dipropylamino)sulfonyl]benzoate] -D-Glucopyranuronic Acid
1-[4-[(Dipropylamino)sulfonyl]benzoate]orb2941711DTXSID20955588Probenecid acyl-beta-D-glucuronideTSW-00320MP16838DB-257625CS-0451284
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 710
Physicochemical properties
- Melting point
- 153 · 153-160C
- Boiling point
- 688.3 · 688.3±65.0 °C(Predicted)
- Density
- 1.49 · 1.49±0.1 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C Freezer, Under Inert Atmosphere
- solubility
- Methanol (Slightly), Water (Slightly)
- form
- Solid
- pka
- 2.65 · 2.65±0.70(Predicted)
- color
- White to Pale Grey
- Stability
- Hygroscopic
- HS Code
- 2938909090 · 2938909090
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
- hs_code
- 2938909090
Chemistry & industry
Applications
UsesThe major metabolite of Probenecid (P755000).
UsesThe major metabolite of Probenecid.
Suppliers14 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]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [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]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
上海贝万塔生物科技有限公司021-67187366 19901745723 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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