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SR4554

CAT: 0931-T34705-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T34705-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
167648-73-9
Target
Others
Related Pathways
Others
Purity
0.9959
Bioactivity
SR4554 is a fluorinated 2-nitroimidazole non-invasive tumor hypoxia probe for the detection of tumor hypoxia as detected by 19F magnetic resonance spectroscopy (MRS) .
Smiles
O=C(NCC(O)C(F)(F)F)CN1C=CN=C1N(=O)=O
Molecular Formula
C8H9F3N4O4
Molecular Weight
282.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

SR-4554

a fluorinated 2-nitroimidazole hypoxia probe; structure given in first source

CAS Number167648-73-9
PubChem CID9882197
IUPAC Name2-(2-nitroimidazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
Molecular FormulaC8H9F3N4O4
Molecular Weight282.18
XLogP-0.2
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge0
Complexity346
SMILES
C1=CN(C(=N1)[N+](=O)[O-])CC(=O)NCC(C(F)(F)F)O
InChI
InChI=1S/C8H9F3N4O4/c9-8(10,11)5(16)3-13-6(17)4-14-2-1-12-7(14)15(18)19/h1-2,5,16H,3-4H2,(H,13,17)
InChIKey
BTLNRJMECFTISR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SR-4554
CAS: 167648-73-9
CID: 9882197
Formula: C8H9F3N4O4
MW: 282.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.18
XLogP3-0.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass282.05758927
Monoisotopic Mass282.05758927
Topological Polar Surface Area113 Ų
Heavy Atom Count19
Formal Charge0
Complexity346
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5784206SR4554

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