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Avarofloxacin

CAT: 0607-BA1094-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA1094-5.1Size:1 mL (10 mM in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
878592-87-1
Form
A solid
Molecular Formula
C21H23F2N3O4
Molecular Weight
419.42
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Acorafloxacin

Acorafloxacin is a member of quinolines.

CAS Number878592-87-1
PubChem CID11546234
IUPAC Name7-[(3E)-3-(2-amino-1-fluoroethylidene)piperidin-1-yl]-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC21H23F2N3O4
Molecular Weight419.4
XLogP-0.3
Topological Polar Surface Area96.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity782
SMILES
COC1=C2C(=CC(=C1N3CCC/C(=C(/CN)\F)/C3)F)C(=O)C(=CN2C4CC4)C(=O)O
InChI
InChI=1S/C21H23F2N3O4/c1-30-20-17-13(19(27)14(21(28)29)10-26(17)12-4-5-12)7-15(22)18(20)25-6-2-3-11(9-25)16(23)8-24/h7,10,12H,2-6,8-9,24H2,1H3,(H,28,29)/b16-11+
InChIKey
VMKVDAAFMQKZJS-LFIBNONCSA-N
Chemical Structure
2D Structure
2D structure of Acorafloxacin
CAS: 878592-87-1
CID: 11546234
Formula: C21H23F2N3O4
MW: 419.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight419.4
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count5
Exact Mass419.16566255
Monoisotopic Mass419.16566255
Topological Polar Surface Area96.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity782
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19206531-01Avarofloxacin
A21045-10Avarofloxacin 10mg
A21045-5Avarofloxacin 5mg
A21045-1Avarofloxacin 1mg
A21045-100Avarofloxacin (JNJ-Q2) 100mg
A21045-25Avarofloxacin (JNJ-Q2) 25mg
A21045-50Avarofloxacin (JNJ-Q2) 50mg

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