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Efaproxiral sodium 500mg

CAT: 0628-A21497-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A21497-500Size:500 mg
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CAS Number
170787-99-2

Chemical Information

Efaproxiral sodium

Efaproxiral Sodium is the sodium salt form of efaproxiral, a propanoic acid and allosteric modifier of hemoglobin, with radiosensitizing activity. Efaproxiral binds non-covalently to the hemoglobin tetramer, thereby decreasing hemoglobin-oxygen binding affinity. This results in an increase in oxygen levels in hypoxic tumor tissues; increasing tumor oxygenation reduces tumor radioresistance.

CAS Number170787-99-2
PubChem CID2725048
IUPAC Namesodium 2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoate
Molecular FormulaC20H22NNaO4
Molecular Weight363.4
Topological Polar Surface Area78.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity464
SMILES
CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)[O-])C.[Na+]
InChI
InChI=1S/C20H23NO4.Na/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24;/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24);/q;+1/p-1
InChIKey
SWDPIHPGORBMFR-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Efaproxiral sodium
CAS: 170787-99-2
CID: 2725048
Formula: C20H22NNaO4
MW: 363.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight363.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass363.14465246
Monoisotopic Mass363.14465246
Topological Polar Surface Area78.5 Ų
Heavy Atom Count26
Formal Charge0
Complexity464
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
FE150510-01Efaproxiral sodium
HY-13619A-01Efaproxiral (sodium)
HY-13619AR-01Efaproxiral (sodium) (Standard)
TCL1145-01*Trypsin-EDTA Solution 1X, w/ 0.05% Trypsin, 0.02% EDTA and 0.1% Glucose, 0.8% Sodium Chloride, 0.04% Potassium Chloride and 500mg per liter Sodium bicarbonate w/o Phenol red
BA6213-5.1Efaproxiral

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