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 Number	1246086-78-1
PubChem CID	46934289
IUPAC Name	N-[3-chloro-4-[(2-chlorophenyl)sulfamoyl]phenyl]pyridine-2-carboxamide
Molecular Formula	C18H13Cl2N3O3S
Molecular Weight	422.3
XLogP	3.8
Topological Polar Surface Area	96.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	27
Formal Charge	0
Complexity	613

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

CAS: 1246086-78-1

CID: 46934289

Formula: C18H13Cl2N3O3S

MW: 422.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	422.3
XLogP3	3.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	421.0054678
Monoisotopic Mass	421.0054678
Topological Polar Surface Area	96.5 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	613
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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