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

ID: ALA3799194

Chembl Id: CHEMBL3799194

PubChem CID: 137243606

Max Phase: Preclinical

Molecular Formula: C23H21F2N7O10

Molecular Weight: 593.46

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-])c1cc([N+](=O)[O-])c2no[n+]([O-])c2c1O

Standard InChI:  InChI=1S/C17H19F2N3O3.C6H2N4O7/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;11-6-3(9(14)15)1-2(8(12)13)4-5(6)10(16)17-7-4/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);1,11H

Standard InChI Key:  OYRTUFNYNUYOHM-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3799194

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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: 593.46

Molecular Weight (Monoisotopic): 593.1318

AlogP:

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CX Acidic pKa:

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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