Perisoxal Citrate
Basic information
- CAS
2139-25-5- Standard SMILES
O=C(O)CC(O)(CC(=O)O)C(=O)O.OC(CN1CCCCC1)c1cc(-c2ccccc2)on1.OC(CN1CCCCC1)c1cc(-c2ccccc2)on1- InChIKey
OOSOWXQJLLTIAF-UHFFFAOYSA-N- Molecular formula
- C38H48N4O11
- Average molar mass
- 736.8 g/mol
- Monoisotopic mass
- 736.33195836
Overview
Perisoxal citrate is a carbonyl compound.
Names & identifiers
- Preferred name
- Perisoxal Citrate
- IUPAC
- 2-hydroxypropane-1,2,3-tricarboxylic acid;bis(1-(5-phenyl-1,2-oxazol-3-yl)-2-piperidin-1-ylethanol)
- English name
- 1-(5-phenyloxazol-3-yl)-2-(1-piperidyl)ethanol
- Molecular formula
- C16H20N2O2
- Molecular weight
- 0
Names & synonyms
IsoxalTHV8Y61BB4S-312521-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrate (2:1)RefChem:171794DTXCID5028742DTXSID8048816Perisoxal CitratePerisoxal citrate [JAN]Perisoxal citrate (JAN)1-Piperidineethanol, alpha-(5-phenyl-3-isoxazolyl)-, citrateUNII-THV8Y61BB4
Show more names
1-(5-phenyloxazol-3-yl)-2-(1-piperidyl)ethanol
PERISOXAL CITRATE [MI]SCHEMBL1650581CHEBI:31982alpha-(5-Phenyl-3-isoxazolyl)-1-piperidineethanol citrate(+/-)-PERISOXAL CITRATE3-(1-Hydroxy-2-piperidinoethyl)-5-phenyl-isoxazole citrateDTXSID601362473PERISOXAL CITRATE [WHO-DD]
Database identifiers
- CAS
2139-25-5、40671-46-3- PubChem CID
- 218465
- DTXSID
DTXSID601362473- ChEBI
CHEBI:31982- UNII
- THV8Y61BB4
Properties
Computed structural properties
- Topological polar surface area
- 231 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 13
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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