Synonyms:
Status: Approved (2009)
Entry Type: Small molecule
Molecule Category: Parent
ATC: S01AE08
UNII: BFE2NBZ7NX

Structure

InChI Key QFFGVLORLPOAEC-SNVBAGLBSA-N
Smile N[C@@H]1CCCCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2Cl)C1
InChI
InChI=1S/C19H21ClFN3O3/c20-15-16-12(18(25)13(19(26)27)9-24(16)11-4-5-11)7-14(21)17(15)23-6-2-1-3-10(22)8-23/h7,9-11H,1-6,8,22H2,(H,26,27)/t10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21ClFN3O3
Molecular Weight 393.85
AlogP 3.14
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 88.56
Molecular species ZWITTERION
Aromatic Rings 2.0
Heavy Atoms 27.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Conjunctivitis, Bacterial 3 D003234 ClinicalTrials
Cataract 1 D002386 ClinicalTrials

Related Entries

MCS

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 141388-76-3
ChEBI 135622
ChEMBL CHEMBL1201760
DrugBank DB06771
DrugCentral 4111
EPA CompTox DTXSID00161706
FDA SRS BFE2NBZ7NX
PubChem 10178705
SureChEMBL SCHEMBL725805
ZINC ZINC000003787097