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Xenazoic Acid

CAT: 0572-TRC-X744450-5MGSize: 5 mgDry Ice: YesHazardous: No
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CAT#:0572-TRC-X744450-5MGSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1174-11-4
Synonyms
p-[(alpha-Ethoxy-p-Phenylphenacyl)Amino]Benzoic Acid; CV 58903; NSC 43842; NSC 58991; NSC 59182; SKF 8318; Xanalamine; Xenalamine; Xenovis; 4-[(2-[1,1'-Biphenyl]-4-yl-1-Ethoxy-2-Oxoethyl)Amino]-Benzoic acid
Hazard Statement
Not a hazardous substance according to GHS.
Smiles
CCOC(Nc1ccc(cc1)C(=O)O)C(=O)c2ccc(cc2)c3ccccc3
Molecular Formula
C23H21NO4
Molecular Weight
375.42
Shipping Conditions
Dry Ice
Storage Conditions
-86°C

Chemical Information

4-((2-(1,1'-Biphenyl)-4-yl-1-ethoxy-2-oxoethyl)amino)benzoic acid

Xenazoic Acid is a diphenyl ketoaldehyde derivative with broad-spectrum antiviral activity.

CAS Number1174-11-4
PubChem CID239062
IUPAC Name4-[[1-ethoxy-2-oxo-2-(4-phenylphenyl)ethyl]amino]benzoic acid
Molecular FormulaC23H21NO4
Molecular Weight375.4
XLogP4.8
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count28
Formal Charge0
Complexity501
SMILES
CCOC(C(=O)C1=CC=C(C=C1)C2=CC=CC=C2)NC3=CC=C(C=C3)C(=O)O
InChI
InChI=1S/C23H21NO4/c1-2-28-22(24-20-14-12-19(13-15-20)23(26)27)21(25)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15,22,24H,2H2,1H3,(H,26,27)
InChIKey
BPOMPTVRBWXZBY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((2-(1,1'-Biphenyl)-4-yl-1-ethoxy-2-oxoethyl)amino)benzoic acid
CAS: 1174-11-4
CID: 239062
Formula: C23H21NO4
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass375.14705815
Monoisotopic Mass375.14705815
Topological Polar Surface Area75.6 Ų
Heavy Atom Count28
Formal Charge0
Complexity501
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

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