DELAFLOXACIN MEGLUMINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2017)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: N7V53U4U4T

Structure
InChI Key AHJGUEMIZPMAMR-WZTVWXICSA-N
Smile CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.Nc1nc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(O)C4)c(Cl)c32)c(F)cc1F
InChI
InChI=1S/C18H12ClF3N4O4.C7H17NO5/c19-12-13-7(1-9(20)14(12)25-3-6(27)4-25)15(28)8(18(29)30)5-26(13)17-11(22)2-10(21)16(23)24-17;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2,5-6,27H,3-4H2,(H2,23,24)(H,29,30);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H29ClF3N5O9
Molecular Weight 635.98
AlogP 1.92
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 121.68
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial DNA gyrase inhibitor FDA

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Skin Diseases, Bacterial 4 D017192 FDA

Related Entries

MCS

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
24.46
General disorders and administration site conditions
14.4
Skin and subcutaneous tissue disorders
11.41
Injury, poisoning and procedural complications
9.78
Nervous system disorders
9.78
Musculoskeletal and connective tissue disorders
8.15
Psychiatric disorders
3.8
Renal and urinary disorders
3.26
Metabolism and nutrition disorders
2.45
Infections and infestations
2.17

Cross References

Resources Reference
ChEMBL CHEMBL2105638
EPA CompTox DTXSID90188740
FDA SRS N7V53U4U4T
PubChem 11578213
SureChEMBL SCHEMBL300983
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