Structure

Xantifibrate

CAS
36921-54-7
Catalog Number
ACM36921547
Category
Other Products
Molecular Weight
525.987
Molecular Formula
C13H21N5O4.C10H11ClO3

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Specification

Synonyms
Xantifibrate, Xantifibrato, Xantifibratum, Xantinolclofibrat, Xantifibrate [INN], AC1MJ2YM, UNII-9FEN3M88VP, 2-(4-chlorophenoxy)-2-methylpropanoic acid; 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione, 36921-54-7, 7-(2-Hydroxy-3-((2-hydroxyethyl)methylamino)propyl)theophyllin-2-(4-chlorophenoxy)-2-methylpropionat, 7-(2-Hydroxy-8-((2-hydroxyethyl)methylamino)propyl)theophylline compd. with 2-(p-chlorophenoxy)-2-methylpropionic acid
IUPAC Name
2-(4-chlorophenoxy)-2-methylpropanoic acid;7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Canonical SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl.CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O
InChI Key
WQRIIYUJYVGZJW-UHFFFAOYSA-N
Boiling Point
589.3ºC at 760mmHg
Flash Point
310.2ºC
Exact Mass
525.19900
H-Bond Acceptor
9
H-Bond Donor
3
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