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Formyl Ciprofloxacin

CAT: 0572-TRC-F698950-5MGSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-F698950-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93594-39-9
Synonyms
1-Cyclopropyl-6-fluoro-7-(4-formyl-1-piperazinyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid; BAY-p 9357; N-Formylciprofloxacin
Hazard Statement
May be harmful if swallowed.
Purity
>95% (HPLC)
Smiles
OC(=O)C1=CN(C2CC2)c3cc(N4CCN(CC4)C=O)c(F)cc3C1=O
Molecular Formula
C18 H18 F N3 O4
Molecular Weight
359.35
InChI
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)
Additionnal Information
IUPAC name: 1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number93594-39-9
PubChem CID4182953
IUPAC Name1-cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC18H18FN3O4
Molecular Weight359.4
XLogP1.1
Topological Polar Surface Area81.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity642
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C=O)F)C(=O)O
InChI
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)
InChIKey
KCXCSXLUYCTARV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-7-(4-formylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS: 93594-39-9
CID: 4182953
Formula: C18H18FN3O4
MW: 359.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass359.12813423
Monoisotopic Mass359.12813423
Topological Polar Surface Area81.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity642
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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