Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C01DX16
UNII: 260456HAM0

Structure

InChI Key LBHIOVVIQHSOQN-UHFFFAOYSA-N
Smile O=C(NCCO[N+](=O)[O-])c1cccnc1
InChI
InChI=1S/C8H9N3O4/c12-8(7-2-1-3-9-6-7)10-4-5-15-11(13)14/h1-3,6H,4-5H2,(H,10,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H9N3O4
Molecular Weight 211.18
AlogP 0.02
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 94.36
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 15.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Myocardial Infarction 3 D009203 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Radiation Pneumonitis 2 D017564 ClinicalTrials
Dementia 2 D003704 ClinicalTrials
Premature Birth 2 D047928 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 65141-46-0
ChEBI 31905
ChEMBL CHEMBL284906
DrugBank DB09220
DrugCentral 1919
EPA CompTox DTXSID8045692
FDA SRS 260456HAM0
Guide to Pharmacology 2411
KEGG C13280
PubChem 47528
SureChEMBL SCHEMBL34547
ZINC ZINC000001533102