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VU 0364439 25mg

CAT: 0628-A12664-25Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0628-A12664-25Size:25 mg
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CAS Number
1246086-78-1

Chemical Information

Contrast Agent CS-1000

Contrast Agent CS-1000 is an aqueous colloidal nanoemulsion containing perfluorocarbon (PFC) polymers that can be used as a tracer for cell tracking purposes during fluorine-19 (19F) magnetic resonance imaging (MRI). Upon administration of the contrast agent CS-1000 to cells ex vivo, this agent freely enters the cells. Upon introduction of these cells into the patient and subsequent 19F MRI, the amount of fluorine can be detected and cellular persistence, survival and distribution of the treated cells can be assessed. The emulsion allows for fast entry of the fluorinated polymers into cells; the polymers do not degrade and remain in the cells.

CAS Number1246086-78-1
PubChem CID46934289
IUPAC NameN-[3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
Molecular FormulaC18H13Cl2N3O3S
Molecular Weight422.3
XLogP3.8
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count27
Formal Charge0
Complexity613
SMILES
C1=CC=C(C(=C1)NS(=O)(=O)C2=C(C=C(C=C2)NC(=O)C3=CC=CC=N3)Cl)Cl
InChI
InChI=1S/C18H13Cl2N3O3S/c19-13-5-1-2-6-15(13)23-27(25,26)17-9-8-12(11-14(17)20)22-18(24)16-7-3-4-10-21-16/h1-11,23H,(H,22,24)
InChIKey
IXHCGJXBIHHIEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Contrast Agent CS-1000
CAS: 1246086-78-1
CID: 46934289
Formula: C18H13Cl2N3O3S
MW: 422.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.3
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass421.0054678
Monoisotopic Mass421.0054678
Topological Polar Surface Area96.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity613
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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