Ciprofloxacin-7-ethylenediamine
Basic information
- CAS
103222-12-4- Standard SMILES
NCCNc1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1- InChIKey
ZYLULTURYPAERI-UHFFFAOYSA-N- Molecular formula
- C15H16FN3O3
- Average molar mass
- 305.3 g/mol
- Monoisotopic mass
- 305.11756954
Overview
metabolite of ciprofloxacin; structure given in first source
Names & identifiers
- Preferred name
- Ciprofloxacin-7-ethylenediamine
- IUPAC
- 7-(2-aminoethylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
- English name
- DESETHYLENE CIPROFLOXACIN
- Molecular formula
- C15H16FN3O3
- Molecular weight
- 305.3
Names & synonyms
103222-12-4Ciprofloxacin-7-ethylenediamineDesethylene ciprofloxacinDesethyleneciprofloxacin7-Aea-ciprofloxcin7-Ethylenediamine ciprofloxacinY7A089AJ9YDesethylene-ciprofloxacinDTXSID801457013-Quinolinecarboxylic acid, 7-((2-aminoethyl)amino)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-(2-Aminoethylamino)-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acidRefChem:126326
Show more names
7-(2-Aminoethylamino)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (Desethylene Compound)EDA IMPURITY7-((2-aminoethyl)amino)Noradrenaline Impurity 49Enrofloxacin EP Impurity GCiprofloxacin EP IMpurity C
DTXCID10681927-(2-aminoethylamino)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid3-Quinolinecarboxylicacid, 7-[(2-aminoethyl)amino]-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-7-((2-Aminoethyl)amino)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid7-[(2-aminoethyl)amino]-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acidENROFLOXACIN IMPURITY GM1-CIPROFLOXACINUNII-Y7A089AJ9Y
Properties
Computed structural properties
- XLogP
- -1.5
- Topological polar surface area
- 95.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 506
Experimental & physicochemical properties
DrugsPharmaceuticals -> Metabolite of Ciprofloxacin
Physicochemical properties
- Boiling point
- 550.2 · 550.2±50.0 °C(Predicted)
- Density
- 1.541 · 1.541±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 6.4 · 6.40±0.41(Predicted)
- Major Application
- pharmaceutical small molecule
- InChI
- 1S/C15H16FN3O3/c16-11-5-9-13(6-12(11)18-4-3-17)19(8-1-2-8)7-10(14(9)20)15(21)22/h5-8,18H,1-4,17H2,(H,21,22)
- InChIKey
- ZYLULTURYPAERI-UHFFFAOYSA-N
- SMILES
- Fc1cc2c(cc1NCC[N+H3])N(C=C(C2=O)C(=O)[O-])C3CC3
- FDA UNII
- 7 A089AJ9Y · Y7A089AJ9Y
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H413
- Precautionary statements
- P501-P273-P270-P264-P301+P312+P330
Chemistry & industry
Applications
UsesDesethylene ciprofloxacin is the main metabolite of ciprofloxacin, has antibacterial activity, and is often used in the research of antibacterial drugs.
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Compound notes
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