Structure

InChI Key IKPNWIGTWUZCKM-JEDNCBNOSA-N
Smile CC(=O)O.CNC(=N)NCCC[C@H](N)C(=O)O
InChI
InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H20N4O4
Molecular Weight 248.28
AlogP -1.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 111.23
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Nitric oxide synthase inhibitor PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Shock 3 D012769 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL1256175
EPA CompTox DTXSID7045780
FDA SRS 2FL3530AF2
PubChem 135242
SureChEMBL SCHEMBL1321022