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N-Hydroxy Gatifloxacin

CAT: 0572-TRC-H703720-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H703720-50MGSize:50 mg
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CAS Number
1335198-95-2
Synonyms
1-Cyclopropyl-6-fluoro-1,4-dihydro-7-(4-hydroxy-3-methyl-1-piperazinyl)-8-methoxy-4-oxo-3-quinolinecarboxylic Acid
Hazard Statement
No Data Available
Smiles
O=C(C1=CN(C2CC2)C3=C(C=C(F)C(N4CC(C)N(O)CC4)=C3OC)C1=O)O
Molecular Formula
C19H22FN3O5
Molecular Weight
391.39
InChI
InChI=1S/C19H22FN3O5/c1-10-8-21(5-6-23(10)27)16-14(20)7-12-15(18(16)28-2)22(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,27H,3-6,8H2,1-2H3,(H,25,26)
Additionnal Information
IUPAC name: 1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

N-Hydroxy Gatifloxacin
CAS Number1335198-95-2
PubChem CID54771817
IUPAC Name1-cyclopropyl-6-fluoro-7-(4-hydroxy-3-methylpiperazin-1-yl)-8-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H22FN3O5
Molecular Weight391.4
XLogP-0.8
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity684
SMILES
CC1CN(CCN1O)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H22FN3O5/c1-10-8-21(5-6-23(10)27)16-14(20)7-12-15(18(16)28-2)22(11-3-4-11)9-13(17(12)24)19(25)26/h7,9-11,27H,3-6,8H2,1-2H3,(H,25,26)
InChIKey
RHFLRQZQILXMAJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Hydroxy Gatifloxacin
CAS: 1335198-95-2
CID: 54771817
Formula: C19H22FN3O5
MW: 391.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.4
XLogP3-0.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass391.15434897
Monoisotopic Mass391.15434897
Topological Polar Surface Area93.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity684
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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