For research use only. Not for therapeutic Use.
1-Oxo Fexofenadine Methyl Ester(Cat No.:R021821)is a synthetic derivative of fexofenadine, featuring a ketone group at the 1-position and a methyl ester moiety. This compound is primarily utilized as an intermediate in the synthesis and modification of second-generation antihistamines. The esterification improves solubility and facilitates chemical manipulation during drug development processes. Its structural resemblance to fexofenadine allows researchers to explore structure-activity relationships and optimize pharmacokinetic profiles. 1-Oxo Fexofenadine Methyl Ester is valuable in medicinal chemistry for designing novel H₁ receptor antagonists with improved metabolic and therapeutic properties.
CAS Number | 154477-55-1 |
Synonyms | 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-α,α-dimethylbenzeneacetic Acid Methyl Ester; 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic Acid Methyl Ester; Methyl 4-[4-[4-(Hydroxydiphenylmethyl)- |
Molecular Formula | C33H41NO4 |
Purity | ≥95% |
Storage | -20°C |
IUPAC Name | methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate |
InChI | InChI=1S/C33H39NO4/c1-32(2,31(36)38-3)26-18-16-25(17-19-26)30(35)15-10-22-34-23-20-29(21-24-34)33(37,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29,37H,10,15,20-24H2,1-3H3 |
InChIKey | PGQMZSGBFIPEKX-UHFFFAOYSA-N |
SMILES | CC(C)(C1=CC=C(C=C1)C(=O)CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC |
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