SERTACONAZOLE NITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2003)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1DV05410M5

Structure
InChI Key HAAITRDZHUANGT-UHFFFAOYSA-N
Smile Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1.O=[N+]([O-])O
InChI
InChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H16Cl3N3O4S
Molecular Weight 500.79
AlogP 7.02
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 27.05
Molecular species NEUTRAL
Aromatic Rings 4.0
Heavy Atoms 27.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 51 inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Candidiasis, Vulvovaginal 2 D002181 ClinicalTrials

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
21.05
General disorders and administration site conditions
15.79
Injury, poisoning and procedural complications
15.79
Nervous system disorders
10.53
Vascular disorders
10.53
Gastrointestinal disorders
5.26
Reproductive system and breast disorders
5.26
Immune system disorders
3.51

Cross References

Resources Reference
ChEMBL CHEMBL1200725
EPA CompTox DTXSID2045529
FDA SRS 1DV05410M5
PubChem 200103
SureChEMBL SCHEMBL261807
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