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

ID: ALA3797984

Chembl Id: CHEMBL3797984

PubChem CID: 137243601

Max Phase: Preclinical

Molecular Formula: C22H20FN7O10

Molecular Weight: 561.44

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCNCC3)cc21.O=[N+]([O-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1O

Standard InChI:  InChI=1S/C16H18FN3O3.C6H2N4O7/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;11-6-3(9(14)15)1-2(8(12)13)4-5(6)10(16)17-7-4/h7-9,18H,2-6H2,1H3,(H,22,23);1,11H

Standard InChI Key:  LDBOMKQQDARBCG-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3797984

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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: 561.44

Molecular Weight (Monoisotopic): 561.1256

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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