Xanoxic Acid
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Basic information
- CAS
33459-27-7- Standard SMILES
CC(C)Oc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1- InChIKey
NYKPKXPWOWUPJV-UHFFFAOYSA-N- Molecular formula
- C17H14O5
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.08412354
Overview
Xanoxic acid is a small molecule drug. Xanoxic acid has a monoisotopic molecular weight of 298.08 Da.
Names & identifiers
- Preferred name
- Xanoxic Acid
- IUPAC
- 9-oxo-7-propan-2-yloxyxanthene-2-carboxylic acid
- English name
- Xanoxic
- Molecular formula
- C17H14O5
- Molecular weight
- 298.29
Names & synonyms
Xanoxic acid33459-27-7Acide xanoxiqueAcido xanoxicoXanoxinsaeureXanoxic acid [INN]Acidum xanoxicumXanoxate7-Isopropoxy-9-oxo-2-xanthencarbonsaeureUNII-S6V5I726MHS6V5I726MH7-Isopropoxy-9-oxoxanthene-2-carboxylic acid
Show more names
XanoxicRs 75409H-Xanthene-2-carboxylic acid, 7-(1-methylethoxy)-9-oxo-
DTXSID40187107RefChem:195104DTXCID101095989-oxo-7-propan-2-yloxyxanthene-2-carboxylic acid7-Isopropoxy-9-oxo-9H-xanthene-2-carboxylic acidorb1694836SCHEMBL2109668CHEMBL2104439
Database identifiers
- CAS
33459-27-7- PubChem CID
- 38767
- DTXSID
DTXSID40187107- ChEMBL
CHEMBL2104439- UNII
- S6V5I726MH
- Nikkaji
- J20.213D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 446
Physicochemical properties
- Boiling point
- 514.2 · 514.2±50.0 °C(Predicted)
- Density
- 1.334 · 1.334±0.06 g/cm3(Predicted)
- pka
- 3.99 · 3.99±0.20(Predicted)
- FDA UNII
- 6 V5I726MH · S6V5I726MH
Chemistry & industry
Applications
UsesBronchodilator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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