Perisoxal citrate
2-hydroxypropane-1,2,3-tricarboxylic acid;1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
Also Known As: Perisoxal citrate|Sid 744614|Tox21_113293|NCGC00183838-01|CAS-14838-45-0|3-(1-Hydroxy-2-piperidinoethyl)-5-phenylisoxazole citrate|31252-S|Isoxazole, 3-(1-hydroxy-2-piperidinoethyl)-5-phenyl-, citrate|3-Isoxazolemethanol, alpha-(piperidinomethyl)-5-phenyl-, citrate|1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (1:1)|1-(5-phenylisoxazol-3-yl)-2-(1-piperidyl)ethanol citrate|1-Piperidineethanol, .alpha.-(5-phenyl-3-isoxazolyl)-, 2-hydroxy-1,2,3-propanetricarboxylate (1:1) (salt)|1-PIPERIDINEETHANOL, ALPHA-(5-PHENYL-3-ISOXAZOLYL)-, 2-HYDROXY-1,2,3-PROPANETRICARBOXYLATE (2:1)|2-Hydroxypropane-1,2,3-tricarboxylic acid--1-(5-phenyl-1,2-oxazol-3-yl)-2-(piperidin-1-yl)ethan-1-ol (1/1)|2-hydroxypropane-1,2,3-tricarboxylic acid; 1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol
| Molecular Formula | C22H28N2O9 |
|---|---|
| Molecular Weight | 464.17947 g/mol |
| LogP | 1.6124 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 464.17947 |
| Monoisotopic Mass | 464.17947 |
| Heavy Atoms | 33 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 2139-25-5 |
|---|---|
| SMILES | C1CCN(CC1)CC(C2=NOC(=C2)C3=CC=CC=C3)O.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | LLIFHVXJAXBPMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Perisoxal citrate (CAS 2139-25-5), with molecular formula C22H28N2O9 and molecular weight 464.17947 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol.