7-AET-ciprofloxacin

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Basic information

CAS: 128751-33-7
Standard SMILES: NCCSc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1
InChIKey: DJRCXRJWNQKZPL-UHFFFAOYSA-N
Molecular formula: C15H15FN2O3S
Average molar mass: 322.4 g/mol
Monoisotopic mass: 322.07874168

Overview

structure given in first source

Names & identifiers

Preferred name: 7-AET-ciprofloxacin
IUPAC: 7-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
English name: 7-(2-aminoethylthio)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid
Molecular weight: 0

Names & synonyms

128751-33-77-Aet-ciprofloxacin7-(2-Aminoethylthio)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acidDTXSID80155981RefChem:914236DTXCID30784727-(2-aminoethylsulfanyl)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid7-((2-Aminoethyl)thio)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidSCHEMBL135763447-((2-Aminoethyl)thio)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid3-Quinolinecarboxylic acid, 7-((2-aminoethyl)thio)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-[(2-Aminoethyl)sulfanyl]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

Database identifiers

CAS: 128751-33-7
PubChem CID: 3035545
DTXSID: DTXSID80155981

Properties

Computed structural properties

XLogP: -1
Topological polar surface area: 109 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 22
Formal charge: 0
Complexity: 509

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Compound notes

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