Structure

InChI Key RSBPYSTVZQAADE-RQJHMYQMSA-N
Smile NCCONC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O
InChI
InChI=1S/C9H16N4O7S/c10-3-4-19-11-8(14)7-2-1-6-5-12(7)9(15)13(6)20-21(16,17)18/h6-7H,1-5,10H2,(H,11,14)(H,16,17,18)/t6-,7+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H16N4O7S
Molecular Weight 324.32
AlogP -2.0
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 151.5
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 21.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Urinary Tract Infections 1 D014552 ClinicalTrials
Kidney Diseases 1 D007674 ClinicalTrials
Gram-Negative Bacterial Infections 1 D016905 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL3989959
DrugBank DB15353
FDA SRS 832O37V7MZ
Guide to Pharmacology 10833
SureChEMBL SCHEMBL17975933
ZINC ZINC000207610051