4-(3-carboxy-1-ethyl-6,8-difluoro-4-oxo-1,4-dihydroquinolin-7-yl)-2-methylpiperazin-1-ium 6-chloro-5-nitro-4-oxidobenzofuroxan

ID: ALA3798377

Chembl Id: CHEMBL3798377

PubChem CID: 137243605

Max Phase: Preclinical

Molecular Formula: C23H21ClF2N6O8

Molecular Weight: 582.90

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c21.O=[N+]([O-])c1c(Cl)cc2c(no[n+]2[O-])c1O

Standard InChI:  InChI=1S/C17H19F2N3O3.C6H2ClN3O5/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22;7-2-1-3-4(8-15-10(3)14)6(11)5(2)9(12)13/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1,11H

Standard InChI Key:  JUMDLZVHFMNVTM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3798377

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Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 582.90

Molecular Weight (Monoisotopic): 582.1077

AlogP:

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References

1. Chugunova E, Akylbekov N, Bulatova A, Gavrilov N, Voloshina A, Kulik N, Zobov V, Dobrynin A, Syakaev V, Burilov A..  (2016)  Synthesis and biological evaluation of novel structural hybrids of benzofuroxan derivatives and fluoroquinolones.,  116  [PMID:27061980] [10.1016/j.ejmech.2016.03.086]

Source

Source(1):

• Scientific Literature