Isoprazone
Basic information
- CAS
56463-68-4- Standard SMILES
Cc1[nH]c(-c2ccccc2)c(N)c1C(=O)C(C)C- InChIKey
UMSWVMUFXHQAPJ-UHFFFAOYSA-N- Molecular formula
- C15H18N2O
- Average molar mass
- 242.32 g/mol
- Monoisotopic mass
- 242.1419132
Overview
Isoprazone is a small molecule drug. The usage of the INN stem '-azone' in the name indicates that Isoprazone is a anti-inflammatory analgesic, phenylbutazone derivative. Isoprazone has a monoisotopic molecular weight of 242.14 Da.
Names & identifiers
- Preferred name
- Isoprazone
- IUPAC
- 1-(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-methylpropan-1-one
- English name
- Isoprazone
- Molecular formula
- C15H18N2O
- Molecular weight
- 242.32
Names & synonyms
Isoprazone56463-68-4IprazoneIsoprazonaIsoprazonumLB0T3NEB481-(4-Amino-2-methyl-5-phenylpyrrol-3-yl)-2-methyl-1-propanoneDTXSID002050131-(4-amino-2-methyl-5-phenyl-3-pyrrolyl)isopropyl ketoneRefChem:149778DTXCID001275041-(4-amino-2-methyl-5-phenyl-1h-pyrrol-3-yl)-2-methylpropan-1-one
Show more names
1-(4-Amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-methyl-1-propanone1-Propanone, 1-(4-amino-2-methyl-5-phenyl-1H-pyrrol-3-yl)-2-methyl-
Isoprazonum [INN-Latin]Isoprazona [INN-Spanish]Isoprazone [INN:BAN]UNII-LB0T3NEB484-Amino-2-methyl-5-phenylpyrrol-3-yl isopropyl ketoneISOPRAZONE [INN]SCHEMBL2732739CHEMBL2104341
Database identifiers
- CAS
56463-68-4- PubChem CID
- 71737
- DTXSID
DTXSID00205013- ChEMBL
CHEMBL2104341- UNII
- LB0T3NEB48
- Nikkaji
- J12.615B
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Boiling point
- 425.9 · 425.9±45.0 °C(Predicted)
- Density
- 1.119 · 1.119±0.06 g/cm3(Predicted)
- pka
- 16.74 · 16.74±0.50(Predicted)
- FDA UNII
- 0 T3NEB48 · LB0T3NEB48
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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