Structure

InChI Key JLEBZPBDRKPWTD-TURQNECASA-O
Smile NC(=O)c1ccc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1
InChI
InChI=1S/C11H14N2O5/c12-10(17)6-2-1-3-13(4-6)11-9(16)8(15)7(5-14)18-11/h1-4,7-9,11,14-16H,5H2,(H-,12,17)/p+1/t7-,8-,9-,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H15N2O5+
Molecular Weight 255.25
AlogP -2.32
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 116.89
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 18.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Peripheral Arterial Disease 3 D058729 ClinicalTrials
Heart Failure 2 D006333 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Premature Birth 2 D047928 ClinicalTrials
Aging 2 D000375 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Peripheral Nervous System Diseases 2 D010523 ClinicalTrials
Heart Failure, Systolic 1 D054143 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 1341-23-7
ChEBI 15927
ChEMBL CHEMBL438497
DrugBank DB14933
FDA SRS 0I8H2M0L7N
Human Metabolome Database HMDB0000855
KEGG C03150
PDB NNR
PubChem 439924
SureChEMBL SCHEMBL938611
ZINC ZINC000004096036