OXICONAZOLE NITRATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII RQ8UL4C17S
EPA CompTox DTXSID2045943

Structure

InChI Key WVNOAGNOIPTWPT-NDUABGMUSA-N
Smiles Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.O=[N+]([O-])O
InChI
InChI=1S/C18H13Cl4N3O.HNO3/c19-13-2-1-12(16(21)7-13)10-26-24-18(9-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22;2-1(3)4/h1-8,11H,9-10H2;(H,2,3,4)/b24-18+;

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H14Cl4N4O4
Molecular Weight 492.15
AlogP 6.12
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 6.0
Polar Surface Area 39.41
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Cytochrome P450 51 inhibitor INHIBITOR PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 116.05-122.27
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 116.05-122.27
Trypanosoma cruzi
- 388 - - -

Cross References

Resources Reference
ChEBI 7826
ChEMBL CHEMBL1200836
FDA SRS RQ8UL4C17S
KEGG C08075
PubChem 9556529
SureChEMBL SCHEMBL153416
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