CAS 1076199-80-8: 2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid

Description: 2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid, with the CAS number 1076199-80-8, is a chemical compound that belongs to the class of piperazine derivatives. This substance features a complex structure characterized by the presence of a piperazine ring, which is a six-membered ring containing two nitrogen atoms. The compound also includes an ethoxy group and an acetic acid moiety, contributing to its potential biological activity. The presence of a chlorophenyl group suggests that it may exhibit specific interactions with biological targets, possibly influencing its pharmacological properties. Such compounds are often investigated for their potential therapeutic applications, including in the fields of psychiatry and neurology, due to their ability to modulate neurotransmitter systems. Additionally, the oxido group indicates the presence of an oxygen atom that may play a role in the compound's reactivity and stability. Overall, this compound's unique structural features may contribute to its efficacy and specificity in biological systems.

Formula: C₂₁H₂₅ClN₂O₄

InChI: InChI=1S/C21H25ClN2O4/c22-19-8-6-18(7-9-19)21(17-4-2-1-3-5-17)23-10-12-24(27,13-11-23)14-15-28-16-20(25)26/h1-9,21H,10-16H2,(H,25,26)

InChI key: InChIKey=IVDOUUOLLFEMJQ-UHFFFAOYSA-N

SMILES: O=C(O)COCCN1(=O)CCN(CC1)C(C=2C=CC=CC2)C3=CC=C(Cl)C=C3

Synonyms:

• 1-(2-(Carboxymethoxy)ethyl)-4-((4-chlorophenyl)(phenyl)methyl)piperazine 1-oxide
• 2-[2-[4-[(4-Chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]acetic acid
• Acetic acid, 2-[2-[4-[(4-chlorophenyl)phenylmethyl]-1-oxido-1-piperazinyl]ethoxy]-

Cetirizine N-Oxide (2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)acetic acid N1-oxide)

CAS: 1076199-80-8

Compounds containing a pyrimidine ring, whether or not hydrogenated, or piperazine ring in the structure, …

• Formula: C₂₁H₂₅ClN₂O₄
• Color and Shape: Off-White Powder
• Molecular weight: 404.15028

Cetirizine N1-Oxide DiHCl

CAS: 1076199-80-8

• Formula: C₂₁H₂₅ClN₂O₄HCl
• Color and Shape: White To Off-White Solid
• Molecular weight: 404.89 2*36.46

Cetirizine N-Oxide

CAS: 1076199-80-8

• Formula: C₂₁H₂₅ClN₂O₄
• Color and Shape: Neat
• Molecular weight: 404.89

rac Cetirizine N-Oxide > 90% by HPLC(Mixture of Diastereomers)

CAS: 1076199-80-8

Applications A metabolite of Cetirizine. References Egger, H., et al.: Drug Metab. Dispos., 10, 529 …

• Formula: C₂₁H₂₅ClN₂O₄
• Color and Shape: White To Off-White
• Molecular weight: 404.89

Cetirizine N-Oxide

CAS: 1076199-80-8

Cetirizine metabolite

• Formula: C₂₁H₂₅ClN₂O₄
• Purity: Min. 95%
• Color and Shape: Powder
• Molecular weight: 404.89 g/mol