93591-00-5 Purity
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Specification
The molecular formula of formyl-ciprofloxacin is C18H18FN3O4.
Formyl-ciprofloxacin was created on September 13, 2005, and last modified on December 30, 2023.
The IUPAC name of formyl-ciprofloxacin is 1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid.
The InChI of formyl-ciprofloxacin is InChI=1S/C18H18FN3O4/c19-14-7-12-15(8-16(14)21-5-3-20(10-23)4-6-21)22(11-1-2-11)9-13(17(12)24)18(25)26/h7-11H,1-6H2,(H,25,26).
The InChIKey of formyl-ciprofloxacin is KCXCSXLUYCTARV-UHFFFAOYSA-N.
The canonical SMILES representation of formyl-ciprofloxacin is C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C=O)F)C(=O)O.
The molecular weight of formyl-ciprofloxacin is 359.4 g/mol.
Formyl-ciprofloxacin has 1 hydrogen bond donor count.
The topological polar surface area of formyl-ciprofloxacin is 81.2 Ų.
Yes, formyl-ciprofloxacin is a canonicalized compound according to PubChem.