Wikidata

(Q72507631)

English

Sitafloxacin hydrate (2:3)

group of stereoisomers with the chemical formula C₃₈H₄₂Cl₂F₄N₆O₉

  • 7-[(7S)-7-Amino-5-azaspiro[2.4]heptan-5-yl]-8-chloro-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxoquinoline-3-carboxylic acid hydrate (2:3)
In more languages

Statements

mass
872.2326451640002 dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₈H₄₂Cl₂F₄N₆O₉
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2Cl)CC12CC2.NC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4F)c3c2Cl)CC12CC2.O.O.O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@@H]4F)c3c2Cl)CC12CC2.N[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4C[C@@H]4F)c3c2Cl)CC12CC2.O.O.O
1 reference
based on heuristic
inferred from InChI

Identifiers

DrugBank ID
13261
1 reference
stated in
DrugBank
DrugBank ID
13261
retrieved
6 July 2021
quotation
CAS no.: 163253-35-8 (English)
title
Sitafloxacin (English)
UNII
9TD681796G
0 references
 
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