Basic information
- CAS
24243-89-8- Standard SMILES
CCOC(=O)N(c1cccc(C(=O)c2ccccc2)c1)S(=O)(=O)C(F)(F)F- InChIKey
ULANGSAJTINEBA-UHFFFAOYSA-N- Molecular formula
- C17H14F3NO5S
- Average molar mass
- 401.4 g/mol
- Monoisotopic mass
- 401.05447821
Overview
Triflumidate is a small molecule drug. Triflumidate has a monoisotopic molecular weight of 401.05 Da.
Names & identifiers
- Preferred name
- Triflumidate
- IUPAC
- ethyl N-(3-benzoylphenyl)-N-(trifluoromethylsulfonyl)carbamate
- English name
- Triflumidate
- Molecular formula
- C17H14F3NO5S
- Molecular weight
- 401.36
Names & synonyms
Triflumidate24243-89-8TriflumidatoTriflumidatumBA 4223MBR 4223MBR-4223BA-4223V6G94Z48FKEthyl m-benzoyl-N-((trifluoromethyl)sulfonyl)carbanilateDTXSID80178938Carbamic acid, (3-benzoylphenyl)((trifluoromethyl)sulfonyl)-, ethyl ester
Show more names
N-[(Trifluoromethyl)sulfonyl]-N-(3-benzoylphenyl)carbamic acid ethyl esterCarbamic acid, N-(3-benzoylphenyl)-N-[(trifluoromethyl)sulfonyl]-, ethyl ester
(3-Benzoylphenyl)((trifluoromethyl)sulfonyl)carbamic acid, ethyl esterRefChem:933400DTXCID40101429N-ethoxycarbonyl-3-benzoyltrifluoromethanesulfonanilideethyl N-(3-benzoylphenyl)-N-(trifluoromethylsulfonyl)carbamateTriflumidate [USAN:INN]Triflumidatum [INN-Latin]Triflumidato [INN-Spanish]
Database identifiers
- CAS
24243-89-8- PubChem CID
- 32259
- DTXSID
DTXSID80178938- ChEMBL
CHEMBL2106503- UNII
- V6G94Z48FK
- Nikkaji
- J16.394E
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 638
Physicochemical properties
- Melting point
- 131.5 · 131.5-133 °C(Solv: ethanol, 95% (64-17-5))
- Boiling point
- 472.2 · 472.2±55.0 °C(Predicted)
- Density
- 1.436 · 1.436±0.06 g/cm3(Predicted)
- pka
- -3.29 · -3.29±0.50(Predicted)
- FDA UNII
- 6 G94Z48FK · V6G94Z48FK
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers2 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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