Basic information
- CAS
1213-06-5- Standard SMILES
CCN(CC)S(=O)(=O)c1ccc(C(=O)O)cc1- InChIKey
UACOQEQOBAQRDQ-UHFFFAOYSA-N- Molecular formula
- C11H15NO4S
- Average molar mass
- 257.31 g/mol
- Monoisotopic mass
- 257.07217913
Overview
Etebenecid is a sulfonamide.
Names & identifiers
- Preferred name
- 4-((Diethylamino)sulfonyl)benzoic acid
- IUPAC
- 4-(diethylsulfamoyl)benzoic acid
- English name
- N,N-Diethyl-4-sulfamoylbenzoic acid
- Molecular formula
- C11H15NO4S
- Molecular weight
- 257.31
Names & synonyms
4-[(Diethylamino)sulfonyl]benzoic acid4-((Diethylamino)sulfonyl)benzoic acidRefChem:138002Etebenecid1213-06-5Ethebenecid4-(diethylsulfamoyl)benzoic acid4-Diethylsulfamoyl-benzoic acidEthebenecideUrelimEtebenecidumEtamid
Show more names
AntidipsinEtebenecid, 10 mM in DMSOInhibitor,Etebenecid,inhibitp-(diethylsulfamoyl)benzoicacidp-(diethylsulfamoyl)-benzoicaci
4-(N,N-diethylsulfamoyl)benzoic acidEtebenecidaEtebenecidep-(Diethylsulfamoyl)benzoic acidN,N-Diethyl-p-sulfamoylbenzoic acidp-Diethylsulfamoylbenzoic acid4-Carboxy-N,N-diethylbenzenesulfonamideDTXSID7023011
Database identifiers
- CAS
1213-06-5- PubChem CID
- 14604
- DTXSID
DTXSID7023011- ChEMBL
CHEMBL1705586- ChEBI
CHEBI:135060
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 348
Experimental & physicochemical properties
Solubility30.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 192 · 192-194° (with turbidity)
- Boiling point
- 416.5 · 416.5±47.0 °C(Predicted)
- Density
- 1.283 · 1.283±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 250 mg/mL · DMSO: 250 mg/mL (971.59 mM)
- form
- Solid
- pka
- 3.59 · 3.59±0.10(Predicted)
- color
- White to off-white
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 4413 I5098G · 4413I5098G
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Dam. 1 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_class
- IRRITANT
- Hazard statements
- H318
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Applications
UsesEtebenecid is a uricosuric agent that also inhibits the renal tubular secretion of penicillin.
Suppliers19 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [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; +8616314854226 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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