Indobufen
Properties
- Molecular formula
- C18H17NO3
- Molar mass
- 295.34 g/mol
- Exact mass
- 295.1208 Da
- Melting point
- 183 °C
- logP
- 3.43Crippen estimate
- Polar surface area
- 57.6 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 4
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
Aggregated from 32 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P270, P301+P317, P330, P501
Identifiers
CAS number
63610-08-2SMILES
CCC(C(=O)O)c1ccc(N2Cc3ccccc3C2=O)cc1InChIKey
AYDXAULLCROVIT-UHFFFAOYSA-NInChI
InChI=1S/C18H17NO3/c1-2-15(18(21)22)12-7-9-14(10-8-12)19-11-13-5-3-4-6-16(13)17(19)20/h3-10,15H,2,11H2,1H3,(H,21,22)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
9 names
- Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-
- Benzeneacetic acid, 4-(1,3-dihydro-1-oxo-2H-isoindol-2-yl)-α-ethyl-, (±)-
- 4-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-α-ethylbenzeneacetic acid
- Ibustrin
- 1-Oxo-2-[p-[(α-ethyl)carboxymethyl]phenyl]isoindoline
- K 3920
- K 2930
- 2-[p-(1-Oxo-2-isoindolinyl)phenyl]butyric acid
- 2-(4-(1-Oxoisoindolin-2-yl)phenyl)butanoic acid
Work with Indobufen
Similar compounds
2-Phenylbutyric acid90-27-756 % similar
(-)-2-Phenylbutyric acid938-79-456 % similar
α-Ethyl-4-nitrobenzeneacetic acid7463-53-847 % similar
1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-438 % similar
Pht-ala-oh4192-28-338 % similar
Tropic acid529-64-638 % similar
Alpha-PhthaliMido-o-toluic acid53663-18-638 % similar
α-Ethylbenzeneacetyl chloride36854-57-637 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds