Structure

InChI Key HJLSLZFTEKNLFI-UHFFFAOYSA-N
Smile CCS(=O)(=O)CCn1c([N+](=O)[O-])cnc1C
InChI
InChI=1S/C8H13N3O4S/c1-3-16(14,15)5-4-10-7(2)9-6-8(10)11(12)13/h6H,3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H13N3O4S
Molecular Weight 247.28
AlogP 0.53
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 5.0
Polar Surface Area 95.1
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 16.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR DNA inhibitor DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Trichomonas Infections 4 D014245 ClinicalTrials
Candidiasis 3 D002177 ClinicalTrials
Stomach Neoplasms 3 D013274 ClinicalTrials
Helicobacter Infections 3 D016481 ClinicalTrials
Malaria, Vivax 2 D016780 ClinicalTrials
Urethritis 2 D014526 ClinicalTrials

Related Entries

MCS

Side Effects from Label

Side effects Relative Frequency (%) Labels
Gastrointestinal disorders Dysgeusia 6.3
Gastrointestinal disorders Nausea 4.5
Gastrointestinal disorders Dysgeusia 3.7
Gastrointestinal disorders Nausea 3.2
General disorders and administration site conditions Decreased appetite 2.5
General disorders and administration site conditions Asthenia 2.1
General disorders and administration site conditions Discomfort 2.1
General disorders and administration site conditions Fatigue 2.1
General disorders and administration site conditions Feeling abnormal 2.1
General disorders and administration site conditions Ill-defined disorder 2.1
General disorders and administration site conditions Malaise 2.1
Gastrointestinal disorders Dyspepsia 1.8
Gastrointestinal disorders Epigastric discomfort 1.8
Musculoskeletal and connective tissue disorders Muscle spasms 1.8
General disorders and administration site conditions Decreased appetite 1.5
Gastrointestinal disorders Vomiting 1.5
Gastrointestinal disorders Constipation 1.4
Gastrointestinal disorders Dyspepsia 1.4
Gastrointestinal disorders Epigastric discomfort 1.4
Musculoskeletal and connective tissue disorders Muscle spasms 1.4
Nervous system disorders Headache 1.3
General disorders and administration site conditions Asthenia 1.1
General disorders and administration site conditions Discomfort 1.1
Cardiac disorders Dizziness 1.1
General disorders and administration site conditions Fatigue 1.1
General disorders and administration site conditions Feeling abnormal 1.1
General disorders and administration site conditions Ill-defined disorder 1.1
General disorders and administration site conditions Malaise 1.1
Gastrointestinal disorders Vomiting 0.9
Nervous system disorders Headache 0.7
Cardiac disorders Dizziness 0.5
Gastrointestinal disorders Constipation 0.4

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
35.0
Nervous system disorders
12.5
Skin and subcutaneous tissue disorders
12.5
General disorders and administration site conditions
7.5
Immune system disorders
7.5
Infections and infestations
6.25
Reproductive system and breast disorders
5.0
Cardiac disorders
2.5
Eye disorders
2.5
Product issues
2.5

Cross References

Resources Reference
CAS NUMBER 19387-91-8
ChEBI 63627
ChEMBL CHEMBL1220
DrugBank DB00911
DrugCentral 2671
EPA CompTox DTXSID4023676
FDA SRS 033KF7V46H
Human Metabolome Database HMDB0015047
PharmGKB PA10813
PubChem 5479
SureChEMBL SCHEMBL21141
ZINC ZINC000000113446