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1092551-88-6

1092551-88-6 | 4-[(2,3-Dihydro-7-hydroxy-6-methyl-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-1-propanoic acid

CAS No: 1092551-88-6 Catalog No: AG0037YR MDL No:

Product Description

Catalog Number:
AG0037YR
Chemical Name:
4-[(2,3-Dihydro-7-hydroxy-6-methyl-1H-inden-4-yl)methyl]-3,5-dimethyl-1H-pyrazole-1-propanoic acid
CAS Number:
1092551-88-6
Molecular Formula:
C19H24N2O3
Molecular Weight:
328.4055
IUPAC Name:
3-[4-[(7-hydroxy-6-methyl-2,3-dihydro-1H-inden-4-yl)methyl]-3,5-dimethylpyrazol-1-yl]propanoic acid
InChI:
InChI=1S/C19H24N2O3/c1-11-9-14(15-5-4-6-16(15)19(11)24)10-17-12(2)20-21(13(17)3)8-7-18(22)23/h9,24H,4-8,10H2,1-3H3,(H,22,23)
InChI Key:
OFUOCIUIWKDKPA-UHFFFAOYSA-N
SMILES:
OC(=O)CCn1nc(c(c1C)Cc1cc(C)c(c2c1CCC2)O)C
UNII:
B93608MTGW

Properties

Complexity:
458  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.179g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
328.412g/mol
Monoisotopic Mass:
328.179g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  

Literature

Title Journal
Metabolic effects of the iodothyronine functional analogue TRC150094 on the liver and skeletal muscle of high-fat diet fed overweight rats: an integrated proteomic study. Molecular bioSystems 20120706

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