Basic information
- CAS
53086-13-8- Standard SMILES
C[C@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1- InChIKey
RJMIEHBSYVWVIN-NSHDSACASA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- (S)-Indoprofen
- IUPAC
- (2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
- English name
- dexindoprofen
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
DexindoprofenDexindoprofeneDexindoprofeno53086-13-8DexindoprofenumNediusD-indoprofenIndoprofen (+)-004T8726AUDTXSID101018148(S)-IndoprofenRefChem:906466
Show more names
(S)-2-[4-(1-Oxoisoindolin-2-yl)phenyl]propanoic Acid(S)-4-[(1,3-Dihydro-1-oxo-2H-isoindol)-2-yl]-α-methylbenzeneacetic acidBenzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-methyl-, (αS)-
DTXCID801476395258-351-2Dexindoprofen [INN](2S)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid(+)-indoprofen(+)-(S)-p-(1-Oxo-2-isoindolinyl)hydratropic acidDexindoprofene [INN-French]Dexindoprofenum [INN-Latin]
Database identifiers
- CAS
53086-13-8- PubChem CID
- 68700
- DTXSID
DTXSID101018148- ChEMBL
CHEMBL2106252- UNII
- 004T8726AU
- EC Number
- 258-351-2
- Nikkaji
- J295.881C
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 414
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
LogP2.89
Physicochemical properties
- Melting point
- 205 · 205-207°
- alpha
- 20 · D20 +48° (c = 0.05 in DMSO)
- FDA UNII
- 4 T8726AU · 004T8726AU
- Toxicity
- 50 in · LD50 in rats (mg/kg): 31.98 i.v.; 33.75 orally (Buttinoni)
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
- Toxicity
- LD50 in rats (mg/kg): 31.98 i.v.; 33.75 orally (Buttinoni)
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationCompounds or agents that combine with cyclooxygenase (PROSTAGLANDIN-ENDOPEROXIDE SYNTHASES) and thereby prevent its substrate-enzyme combination with arachidonic acid and the formation of eicosanoids, prostaglandins, and thromboxanes.
Suppliers3 total
韶远科技（上海）有限公司4000665055 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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