Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
Basic information
- CAS
16006-74-9- Standard SMILES
CCCCc1c(OC(=O)c2cc(OC)c(OC)c(OC)c2)n(-c2ccccc2)n(-c2ccccc2)c1=O- InChIKey
LAVQJQXAUQINRC-UHFFFAOYSA-N- Molecular formula
- C29H30N2O6
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.21038668
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester
- IUPAC
- (4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 3,4,5-trimethoxybenzoate
- English name
- 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
- Molecular formula
- C29H30N2O6
- Molecular weight
- 502.56
Names & synonyms
Phenylbutazone trimethylgallate16006-74-9Benzoic acid, 3,4,5-trimethoxy-, 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl esterDTXSID40166795RefChem:173047DTXCID40892864-butyl-5-oxo-1,2-diphenyl-3-pyrazolin-2-yl (3,4,5-trimethoxybenzoate)240-138-0(4-butyl-5-oxo-1,2-diphenylpyrazol-3-yl) 3,4,5-trimethoxybenzoateMegazoneLH1504-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate
Show more names
3,4,5-Trimethoxybenzoic acid 4-butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl ester3,4,5-trimethoxy-benzoic acid 4-butyl-5-oxo-1,2-diphenyl-2,5-dihydro-1H-pyrazol-3-yl ester
EINECS 240-138-0Phenylbutazone trimethoxybenzoatePhenylbutazone trimethylgallic esterLH 150LH-150BRN 08700704-Butyl-2,5-dihydro-5-oxo-1,2-diphenyl-1H-pyrazol-3-yl 3,4,5-trimethoxybenzoate3,4,5-Trimethoxybenzoate de phenylbutazone [French]
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 77.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 790
Chemistry & industry
Applications
DescriptionPhenylbutazone trimethylgallate is a non-steroidal anti-inflammatory drug.
UsesPhenylbutazone trimethylgallate (LH150) is a non-steroidal and orally active anti-inflammatory agent[1].
Related reactions
0 records
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Compound notes
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