(-)-Indoprofen
Basic information
- CAS
53086-14-9- Standard SMILES
C[C@@H](C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1- InChIKey
RJMIEHBSYVWVIN-LLVKDONJSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- (-)-Indoprofen
- IUPAC
- (2R)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
- English name
- (R)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenyl]propionic acid
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
(-)-indoprofen(R)-INDOPROFEN53086-14-9B6NVN79HWF(2R)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acidIndoprofen (-)-UNII-B6NVN79HWFr-indoprofenEINECS 258-352-8CAS-31842-01-0INDOPROFEN, (-)-CHEMBL264931
Show more names
(R)-2-[4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)phenyl]propionic acid(R)-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-, (αR)-
SCHEMBL5419435SCHEMBL30910962SCHEMBL30910963DTXSID301317455INDOPROFEN (-)-FORM [MI]BDBM50478349(2R)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanoic acidNCGC00016808-01
Database identifiers
- CAS
53086-14-9- PubChem CID
- 93283
- DTXSID
DTXSID301317455- ChEMBL
CHEMBL264931- UNII
- B6NVN79HWF
- EC Number
- 258-352-8
- Nikkaji
- J295.882A
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
Physicochemical properties
- Melting point
- 205 · 205-207°
- alpha
- 20 · D20 -48° (c = 0.05 in DMSO)
- FDA UNII
- 6 NVN79HWF · B6NVN79HWF
- Toxicity
- 50 in · LD50 in rats (mg/kg): 555.39 i.v.; 538.02 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): 555.39 i.v.; 538.02 orally (Buttinoni)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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