4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 5-chloro-4,6-dinitro-7-oxidobenzofuroxan

ID: ALA3798190

Chembl Id: CHEMBL3798190

PubChem CID: 137243604

Max Phase: Preclinical

Molecular Formula: C22H19ClFN7O10

Molecular Weight: 595.88

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.O=[N+]([O-])c1c(Cl)c([N+](=O)[O-])c2no[n+]([O-])c2c1O

Standard InChI:  InChI=1S/C16H18FN3O3.C6HClN4O7/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20;7-1-3(9(13)14)2-5(11(17)18-8-2)6(12)4(1)10(15)16/h7-9,18H,2-6H2,1H3,(H,22,23);12H

Standard InChI Key:  BUVPVTWPRSHZSE-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3798190

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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: 595.88

Molecular Weight (Monoisotopic): 595.0866

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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