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CN128

CAT: 0931-T85022-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T85022-02Size:50 mg
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CAS Number
2457170-98-6
Target
Others
Related Pathways
Others
Bioactivity
CN128, an orally bioavailable iron chelator, features a side chain hydroxy group serving as an alternate sacrificial glucuronidation site to mitigate metabolic inactivation at the 3-hydroxy group. When administered at doses of 150 and 450 μmol/kg, CN128 enhances iron mobilization by 24.8% in a 59Fe-ferritin-loaded rat model of iron overload.
Smiles
[C@@H](CC1=CC=CC=C1)(CO)[N+]=2C(C)=C(O)C(O)=CC2
Molecular Formula
C15H18NO3
Molecular Weight
260.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol
CAS Number2457170-98-6
PubChem CID146047135
IUPAC Name1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol
Molecular FormulaC15H18NO3+
Molecular Weight260.31
XLogP1.9
Topological Polar Surface Area64.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count19
Formal Charge1
Complexity268
SMILES
CC1=[N+](C=CC(=C1O)O)[C@H](CC2=CC=CC=C2)CO
InChI
InChI=1S/C15H17NO3/c1-11-15(19)14(18)7-8-16(11)13(10-17)9-12-5-3-2-4-6-12/h2-8,13,17,19H,9-10H2,1H3/p+1/t13-/m1/s1
InChIKey
FAYRGKKCBATAET-CYBMUJFWSA-O
Chemical Structure
2D Structure
2D structure of 1-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyridin-1-ium-3,4-diol
CAS: 2457170-98-6
CID: 146047135
Formula: C15H18NO3+
MW: 260.31
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight260.31
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass260.12866844
Monoisotopic Mass260.12866844
Topological Polar Surface Area64.6 Ų
Heavy Atom Count19
Formal Charge1
Complexity268
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19232430-01CN128
MBS5825303CN128 hydrochloride
HY-131060-01CN128 (hydrochloride)
C03325-100mgFOT1 (CN128) hydrochloride

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