Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1BUC3685QU

Structure

InChI Key PAHZPHDAJQIETD-UHFFFAOYSA-N
Smile O=C(CCCCCCCC(=O)NCCO)NCCO
InChI
InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H26N2O4
Molecular Weight 274.36
AlogP -0.07
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 98.66
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 19.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Vaginitis 2 D014627 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL2105967
DrugBank DB16083
EPA CompTox DTXSID10168302
FDA SRS 1BUC3685QU
PubChem 176874
SureChEMBL SCHEMBL636771
ZINC ZINC000004538773