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N‐Nitrosociprofloxacin

CAT: 0013-GTR19268785-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19268785-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
N‐Nitrosociprofloxacin is an impurity of Ciprofloxacin.
CAS Number
864443-44-7
Smiles
O=NN1CCN (C=2C=C3C (=CC2F) C (=O) C (=CN3C4CC4) C (=O) O) CC1
Molecular Formula
C17H17FN4O4
Molecular Weight
360.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number864443-44-7
PubChem CID87856327
IUPAC Name1-cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC17H17FN4O4
Molecular Weight360.34
XLogP1.6
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity645
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)N=O)F)C(=O)O
InChI
InChI=1S/C17H17FN4O4/c18-13-7-11-14(8-15(13)20-3-5-21(19-26)6-4-20)22(10-1-2-10)9-12(16(11)23)17(24)25/h7-10H,1-6H2,(H,24,25)
InChIKey
ANFWNIUBWKCSEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Cyclopropyl-6-fluoro-7-(4-nitrosopiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS: 864443-44-7
CID: 87856327
Formula: C17H17FN4O4
MW: 360.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.34
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass360.12338320
Monoisotopic Mass360.12338320
Topological Polar Surface Area93.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity645
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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HY-W753945-01N‐Nitrosociprofloxacin
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sc-222018BN, N', N'', N''', N'''', N'''''-Hexaacetylchitohexaose
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