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Cadrofloxacin

CAT: 0607-BA1394-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1394-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
153808-85-6
Form
A solid
Molecular Formula
C19H20F3N3O4
Molecular Weight
411.38
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Cadrofloxacin

a fluoroquinolone antibacterial drug

CAS Number153808-85-6
PubChem CID189912
IUPAC Name1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-7-[(3S)-3-methylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H20F3N3O4
Molecular Weight411.4
XLogP0.2
Topological Polar Surface Area82.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity702
SMILES
C[C@H]1CN(CCN1)C2=C(C=C3C(=C2OC(F)F)N(C=C(C3=O)C(=O)O)C4CC4)F
InChI
InChI=1S/C19H20F3N3O4/c1-9-7-24(5-4-23-9)15-13(20)6-11-14(17(15)29-19(21)22)25(10-2-3-10)8-12(16(11)26)18(27)28/h6,8-10,19,23H,2-5,7H2,1H3,(H,27,28)/t9-/m0/s1
InChIKey
QBDBUKJBJJWZMG-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of Cadrofloxacin
CAS: 153808-85-6
CID: 189912
Formula: C19H20F3N3O4
MW: 411.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight411.4
XLogP30.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass411.14059061
Monoisotopic Mass411.14059061
Topological Polar Surface Area82.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity702
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5780311Cadrofloxacin

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