CAS 125579-40-0

1,3-bis{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}urea

Description:

1,3-bis{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}urea, with the CAS number 125579-40-0, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups. This compound features a urea moiety, which is known for its ability to form hydrogen bonds, contributing to its solubility and reactivity. The presence of acetyl and hydroxypropoxy groups indicates potential for various chemical interactions, making it useful in applications such as pharmaceuticals or agrochemicals. The tert-butylamino group enhances its lipophilicity, which may influence its bioavailability and interaction with biological systems. Additionally, the compound's phenyl rings provide aromatic stability and may participate in π-π stacking interactions. Overall, this substance is notable for its potential applications in medicinal chemistry, particularly in the design of compounds with specific biological activities. However, detailed studies on its toxicity, environmental impact, and specific applications would be necessary to fully understand its characteristics and utility.

Formula: C₃₁H₄₆N₄O₇

InChI: InChI=1/C31H46N4O7/c1-19(36)25-13-21(9-11-27(25)41-17-23(38)15-32-30(3,4)5)34-29(40)35-22-10-12-28(26(14-22)20(2)37)42-18-24(39)16-33-31(6,7)8/h9-14,23-24,32-33,38-39H,15-18H2,1-8H3,(H2,34,35,40)

SMILES: CC(=O)c1cc(ccc1OCC(CNC(C)(C)C)O)N=C(Nc1ccc(c(c1)C(=O)C)OCC(CNC(C)(C)C)O)O

Synonyms:

• urea, N,N'-bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-
• 1,3-Bis{3-acetyl-4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl}urea
• Celiprolol Impurity 2
• N,N-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea
• Celiprolol Impurity B
• Celiprolol EP Impurity B
• 1,3-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]urea,
• Celiprolol hydrochloride impurity B

Celiprolol EP Impurity B

CAS: 125579-40-0

Formula: C₃₁H₄₆N₄O₇

Color and Shape: White To Off-White Solid

Molecular weight: 586.73

Ref: 4Z-C-213003

N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea

Controlled Product

CAS: 125579-40-0

Formula: C₃₁H₄₆N₄O₇

Color and Shape: Neat

Molecular weight: 586.72

Ref: TR-B400170

N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea

CAS: 125579-40-0

N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea is a synthetic drug product that is used in research and development for the treatment of various diseases. It has a number of possible applications, including as an HPLC standard, natural product, or metabolite. N,N'-Bis[3-acetyl-4-[3-[(1,1-dimethylethyl)amino]-2-hydroxypropoxy]phenyl]-urea can be used to study the metabolism of drugs and may also be used as an API impurity or a pharmacopoeia.

Formula: C₃₁H₄₆N₄O₇

Purity: Min. 95%

Molecular weight: 586.7 g/mol

Ref: 3D-AFA57940

Celiprolol Hydrochloride EP Impurity B

CAS: 125579-40-0

Formula: C₃₁H₄₆N₄O₇

Molecular weight: 586.73

Ref: ST-EA-CP-C106002