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Efaproxiral

CAT: 0926-FE22644-01Size: 0.025 gDry Ice: NoHazardous: No
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CAT#:0926-FE22644-01Size:0.025 g
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CAS Number
131179-95-8
Synonyms
2-[4-[2-[ (3,5-Dimethylphenyl) amino]-2-oxoethyl]phenoxy]-2-methylpropanoic acid; RSR 13
MDL Number
MFCD00899086
Smiles
CC1=CC (=CC (=C1) NC (=O) CC2=CC=C (C=C2) OC (C) (C) C (=O) O) C
Molecular Formula
C20H23NO4
Molecular Weight
341.4 g/mol
Controlled
No

Chemical Information

Efaproxiral

Efaproxiral is a synthetic small molecule with radiosensitizing activity. Efaproxiral increases oxygen levels in hypoxic tumor tissues by binding non-covalently to the hemoglobin tetramer and decreasing hemoglobin-oxygen binding affinity. Increasing tumor oxygenation reduces tumor radioresistance. (NCI04)

CAS Number131179-95-8
PubChem CID122335
IUPAC Name2-[4-[2-(3,5-dimethylanilino)-2-oxoethyl]phenoxy]-2-methylpropanoic acid
Molecular FormulaC20H23NO4
Molecular Weight341.4
XLogP3.6
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity458
SMILES
CC1=CC(=CC(=C1)NC(=O)CC2=CC=C(C=C2)OC(C)(C)C(=O)O)C
InChI
InChI=1S/C20H23NO4/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)
InChIKey
BNFRJXLZYUTIII-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Efaproxiral
CAS: 131179-95-8
CID: 122335
Formula: C20H23NO4
MW: 341.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight341.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass341.16270821
Monoisotopic Mass341.16270821
Topological Polar Surface Area75.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity458
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

Alternative Products

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BA6213-5.1Efaproxiral
BUP16671-01Efaproxiral Sodium
HY-13619S-01Efaproxiral-d6
A12323-5Efaproxiral 5mg
HY-13619A-01Efaproxiral (sodium)

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