Basic information
- CAS
36921-54-7- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)O.CN(CCO)CC(O)Cn1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
WQRIIYUJYVGZJW-UHFFFAOYSA-N- Molecular formula
- C23H32ClN5O7
- Average molar mass
- 526 g/mol
- Monoisotopic mass
- 525.1990261
Names & identifiers
- Preferred name
- Xantifibrate
- IUPAC
- 2-(4-chlorophenoxy)-2-methylpropanoic acid;7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
- English name
- Xantifibrate
- Molecular formula
- C23H32ClN5O7
- Molecular weight
- 525.99
Names & synonyms
Xantifibrate36921-54-7Xantifibrate [INN]XantifibratoXantifibratumXantinolclofibratUNII-9FEN3M88VP9FEN3M88VP7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophyllin-2-(4-chlorophenoxy)-2-methylpropionatRefChem:1952142-(4-chlorophenoxy)-2-methylpropanoic acid;7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dioneXantifibrate - API Standards
Show more names
SCHEMBL29388798DTXSID00958118Q272724922-(4-Chlorophenoxy)-2-methylpropanoic acid--7-{2-hydroxy-3-[(2-hydroxyethyl)(methyl)amino]propyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione (1/1)7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophylline compound with 2-(p-chlorophenoxy)-2-methylpropionic acid (1:1)
Database identifiers
- CAS
36921-54-7- PubChem CID
- 3084643
- DTXSID
DTXSID00958118- UNII
- 9FEN3M88VP
Properties
Computed structural properties
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 642
Physicochemical properties
- FDA UNII
- 9 FEN3M88VP · 9FEN3M88VP
Chemistry & industry
Suppliers3 total
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Pharmaffiliates Analytics and Synthetics P. Ltd[email protected]
Pharma Affiliates@pharmaffiliates.com
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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