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Orbifloxacin

CAT: 0572-TRC-O674200-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-O674200-2.5GSize:2.5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
113617-63-3
Synonyms
Orbifloxacin; 1-Cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Hazard Statement
Causes serious eye irritation
Purity
>95% (HPLC)
Smiles
C[C@@H]1CN(C[C@H](C)N1)c2c(F)c(F)c3C(=O)C(=CN(C4CC4)c3c2F)C(=O)O
Molecular Formula
C19 H20 F3 N3 O3
Molecular Weight
395.38
InChI
InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
Additionnal Information
IUPAC name: 1-cyclopropyl-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Orbifloxacin

Orbifloxacin is a member of quinolines.

CAS Number113617-63-3
PubChem CID60605
IUPAC Name1-cyclopropyl-7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-5,6,8-trifluoro-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC19H20F3N3O3
Molecular Weight395.4
XLogP0.9
Topological Polar Surface Area72.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity691
SMILES
C[C@@H]1CN(C[C@@H](N1)C)C2=C(C3=C(C(=C2F)F)C(=O)C(=CN3C4CC4)C(=O)O)F
InChI
InChI=1S/C19H20F3N3O3/c1-8-5-24(6-9(2)23-8)17-14(21)13(20)12-16(15(17)22)25(10-3-4-10)7-11(18(12)26)19(27)28/h7-10,23H,3-6H2,1-2H3,(H,27,28)/t8-,9+
InChIKey
QIPQASLPWJVQMH-DTORHVGOSA-N
Chemical Structure
2D Structure
2D structure of Orbifloxacin
CAS: 113617-63-3
CID: 60605
Formula: C19H20F3N3O3
MW: 395.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.4
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass395.14567599
Monoisotopic Mass395.14567599
Topological Polar Surface Area72.9 Ų
Heavy Atom Count28
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-B0915SOrbifloxacin-d5 (hydrochloride)
RM-O180211-01Orbifloxacin Nitroso Impurity 11
RM-O180207-01Orbifloxacin EP Impurity G
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RM-O180206-01Orbifloxacin EP Impurity F

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