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

ID: ALA3798209

Chembl Id: CHEMBL3798209

PubChem CID: 137243600

Max Phase: Preclinical

Molecular Formula: C23H20ClF2N7O10

Molecular Weight: 627.90

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

Standard InChI:  InChI=1S/C17H19F2N3O3.C6HClN4O7/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;7-1-3(9(13)14)2-5(11(17)18-8-2)6(12)4(1)10(15)16/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25);12H

Standard InChI Key:  UDOQZNMMTUUNFC-UHFFFAOYSA-N

Alternative Forms

1. Parent:

   

   ALA3798209

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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: 627.90

Molecular Weight (Monoisotopic): 627.0928

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