Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: EH04H13L6B

Structure

InChI Key IOJUJUOXKXMJNF-UHFFFAOYSA-N
Smile CC(=O)Oc1ccccc1C(=O)Oc1cccc(CO[N+](=O)[O-])c1
InChI
InChI=1S/C16H13NO7/c1-11(18)23-15-8-3-2-7-14(15)16(19)24-13-6-4-5-12(9-13)10-22-17(20)21/h2-9H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H13NO7
Molecular Weight 331.28
AlogP 2.54
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 104.97
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Intermittent Claudication 2 D007383 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 175033-36-0
ChEBI 125482
ChEMBL CHEMBL374385
DrugBank DB12445
FDA SRS EH04H13L6B
Guide to Pharmacology 9018
PubChem 119032
SureChEMBL SCHEMBL19524
ZINC ZINC000000022315