BUTOCONAZOLE NITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 4805237NP5

Structure
InChI Key ZHPWRQIPPNZNML-UHFFFAOYSA-N
Smile Clc1ccc(CCC(Cn2ccnc2)Sc2c(Cl)cccc2Cl)cc1.O=[N+]([O-])O
InChI
InChI=1S/C19H17Cl3N2S.HNO3/c20-15-7-4-14(5-8-15)6-9-16(12-24-11-10-23-13-24)25-19-17(21)2-1-3-18(19)22;2-1(3)4/h1-5,7-8,10-11,13,16H,6,9,12H2;(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H18Cl3N3O3S
Molecular Weight 474.8
AlogP 6.64
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 7.0
Polar Surface Area 17.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 51 inhibitor KEGG PubMed FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vulvovaginitis 3 D014848 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Reproductive system and breast disorders
19.05
General disorders and administration site conditions
17.46
Injury, poisoning and procedural complications
12.7
Pregnancy, puerperium and perinatal conditions
12.7
Gastrointestinal disorders
9.52
Congenital, familial and genetic disorders
4.76
Immune system disorders
4.76
Renal and urinary disorders
4.76
Musculoskeletal and connective tissue disorders
3.17
Skin and subcutaneous tissue disorders
3.17

Cross References

Resources Reference
ChEBI 3241
ChEMBL CHEMBL1200398
EPA CompTox DTXSID6045452
FDA SRS 4805237NP5
KEGG C08066
PubChem 47471
SureChEMBL SCHEMBL41394
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