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Xenbucin

HCID 13737
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Basic information

CAS
959-10-4
Standard SMILES
CCC(C(=O)O)c1ccc(-c2ccccc2)cc1
InChIKey
IYEPZNKOJZOGJG-UHFFFAOYSA-N
Molecular formula
C16H16O2
Average molar mass
240.3 g/mol
Monoisotopic mass
240.11502975

Overview

Xenbucin is a member of biphenyls.

Names & identifiers

Preferred name
Xenbucin
IUPAC
2-(4-phenylphenyl)butanoic acid
English name
xenbucin
Molecular formula
C16H16O2
Molecular weight
240.3

Names & synonyms

XenbucinLiosol959-10-42-(4-Biphenylyl)butyric acidLiposanaXenbucinaXenbucineMaggioni 1559M.G. 1559Ethyl-p-xenylacetic acidXenbucina [DCIT]Xenbucino
Show more names
W-1760Maggioni-15592-(4-biphenylyl)butanoic acidα-Ethyl-4-biphenylacetic acid2-(4-phenylphenyl)butyric acid2-(4-phenylphenyl)butanoic acid2-[1,1'-BIPHENYL]-4-YLBUTANOIC ACID
XenbucinumLisol4-Biphenylylethylacetic acid4-Diphenylylethylacetic acid2-(p-Biphenylyl)butyric acidXenbucin [USAN:INN]2-(p-Biphenylyl)butanoic acidXenbucine [INN-French]

Database identifiers

CAS
959-10-4
PubChem CID
13737
DTXSID
DTXSID80862486
ChEMBL
CHEMBL2105601
ChEBI
CHEBI:134976
UNII
R3U09W4H4I
EC Number
213-492-9
Nikkaji
J7.192G

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
37.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
18
Formal charge
0
Complexity
260

Physicochemical properties

Melting point
123 · 123-125°
FDA UNII
3 U09W4H4I · R3U09W4H4I

Chemistry & industry

Applications

UsesAntihyperlipidemic.

Upstream & downstream products

Downstream products

4-(4-Biphenylyl)butyric acid4-Biphenylacetic acid

Suppliers3 total

上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
TargetMol中国(陶术生物)15002134094 · [email protected]

Additional notes

DefinitionChEBI: Xenbucin is a member of biphenyls.

Related reactions

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Compound notes

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