Structure

InChI Key KUGJPYZIWCRREB-UHFFFAOYSA-N
Smile N#Cc1cc(NC(=O)C(=O)O)c(Cl)c(NC(=O)C(=O)O)c1.NC(CO)(CO)CO
InChI
InChI=1S/C11H6ClN3O6.C4H11NO3/c12-7-5(14-8(16)10(18)19)1-4(3-13)2-6(7)15-9(17)11(20)21;5-4(1-6,2-7)3-8/h1-2H,(H,14,16)(H,15,17)(H,18,19)(H,20,21);6-8H,1-3,5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28ClN5O12
Molecular Weight 553.91
AlogP 0.26
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 156.59
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 21.0

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Eye disorders
36.84
General disorders and administration site conditions
15.79
Skin and subcutaneous tissue disorders
15.79
Nervous system disorders
10.53
Vascular disorders
10.53
Cardiac disorders
5.26
Musculoskeletal and connective tissue disorders
5.26

Cross References

Resources Reference
ChEMBL CHEMBL3989725
FDA SRS 50LV9A548L
PubChem 11192129