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Indoprofen

CAT: 0926-FI24587-02Size: 0.025 gDry Ice: NoHazardous: No
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CAS Number
31842-01-0
Synonyms
4- (1,3-Dihydro-1-oxo-2H-isoindol-2-yl) -a-methylbenzeneacetic acid;2-[4- (1-Oxo -2-isoindolinyl) phenyl]propanoic acid
MDL Number
MFCD00057144
Smiles
CC (C1=CC=C (C=C1) N2CC3=CC=CC=C3C2=O) C (=O) O
Molecular Formula
C17H15NO3
Molecular Weight
281.31 g/mol
Controlled
No

Chemical Information

Indoprofen

Indoprofen is a monocarboxylic acid that is propionic acid in which one of the hydrogens at position 2 is substituted by a 4-(1-oxo-1,3-dihydroisoindol-2-yl)phenyl group. Initially used as an anti-inflammatory and analgesic, it was withdrawn from the market due to causing severe gastrointestinal bleeding. It has been subsequently found to increase production of the survival motor neuron protein. It has a role as a non-steroidal anti-inflammatory drug, a non-narcotic analgesic and an EC 1.14.99.1 (prostaglandin-endoperoxide synthase) inhibitor. It is a member of isoindoles, a monocarboxylic acid and a gamma-lactam. It is functionally related to a propionic acid.

CAS Number31842-01-0
PubChem CID3718
IUPAC Name2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid
Molecular FormulaC17H15NO3
Molecular Weight281.30
XLogP2.8
Topological Polar Surface Area57.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity414
SMILES
CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)C(=O)O
InChI
InChI=1S/C17H15NO3/c1-11(17(20)21)12-6-8-14(9-7-12)18-10-13-4-2-3-5-15(13)16(18)19/h2-9,11H,10H2,1H3,(H,20,21)
InChIKey
RJMIEHBSYVWVIN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Indoprofen
CAS: 31842-01-0
CID: 3718
Formula: C17H15NO3
MW: 281.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight281.30
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass281.10519334
Monoisotopic Mass281.10519334
Topological Polar Surface Area57.6 Ų
Heavy Atom Count21
Formal Charge0
Complexity414
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3846912-01Indoprofen
TRC-I645002-25MGIndoprofen-d3
HY-B1104R-01Indoprofen (Standard)
A22391-100Indoprofen 100mg
A22391-50Indoprofen 50mg
A22391-25Indoprofen 25mg

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