Structure

InChI Key WHHNOICWPZIYKI-IBTYICNHSA-M
Smile CC1=C[C@@H]2CN(C(=O)N2OS(=O)(=O)[O-])[C@@H]1C(N)=O.[Na+]
InChI
InChI=1S/C8H11N3O6S.Na/c1-4-2-5-3-10(6(4)7(9)12)8(13)11(5)17-18(14,15)16;/h2,5-6H,3H2,1H3,(H2,9,12)(H,14,15,16);/q;+1/p-1/t5-,6+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H10N3NaO6S
Molecular Weight 299.24
AlogP -1.36
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 130.24
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pyelonephritis 2 D011704 ClinicalTrials
Infections 1 D007239 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL4297378
FDA SRS F78MDZ9CW9
PubChem 89851851
SureChEMBL SCHEMBL15319569