2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1)

Basic Information

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CAS Number

153439-40-8

Molecular Formula

C32H40ClNO4

Molecular Weight

538.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Powder

Melting Point

194-198°C

Boiling Point

No data available

Flash Point

No data available

Solubility

Soluble in Dimethyl sulfoxide (50 mM), and methanol.

Vapor Pressure

No data available

SMILES

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Cl.CC(C)(C(=O)O)c1ccc(cc1)C(O)CCCN2CCC(CC2)C(O)(c3ccccc3)c4ccccc4

InChI

InChI=1S/C32H39NO4.ClH/c1-31(2,30(35)36)25-17-15-24(16-18-25)29(34)14-9-21-33-22-19-28(20-23-33)32(37,26-10-5-3-6-11-26)27-12-7-4-8-13-27;/h3-8,10-13,15-18,28-29,34,37H,9,14,19-23H2,1-2H3,(H,35,36);1H

InChIKey

RRJFVPUCXDGFJB-UHFFFAOYSA-N

LogP

5.932300000000007

Topological Polar Surface Area

81.0 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

678

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Sensitiveness

对热敏感

Synonyms & References

English

Fexofenadine hydrochloride
FEXOFENADINE-D10 HCL
α,α-dimethyl-4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]benzeneacetic acid
Benzeneacetic acid, 4-[1-hydroxy-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-α,α-dimethyl-, hydrochloride
MDL 16455A
Telfast
Telfast BD
Allegra
terfenidine carboxylate hydrochloride
ALPHA,ALPHA-DIMETHYL-4-[1-HYDROXY-4-[4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINYL]BUTYL]-BENZENEACETIC ACID HYDROCHLORIDE
2-[4-[1-hydroxy-4-[4-(hydroxy-diphenyl-methyl)-1-piperidyl]-butyl]phenyl]-2-methyl-propanoic acid hydrochloride
CARBOXYTERFENADINE,TERFENADINECARBOXYLATE
Fexofendine Hcl
2-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butyl)phenyl)-2-methylpropanoic acid hydrochloride
Fexofenadine HCl
MDL-16455 hydrochloride
Fexofenidine hydrochloride
MDL 16455 hydrochloride
Fexo
Alernex
Feksine
Fexofen
Fexadyne
Vivafeks
MDL 16,455A
Fexofenadine (hydrochloride)
Terfenadine carboxylate hydrochloride
MDL 16455
DSSTox_CID_28642
DSSTox_RID_82912
C32H40ClNO4

MDL Number

MFCD00865710

FAQ

What is 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1) (CAS: 153439-40-8)?

2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1), with CAS number 153439-40-8, is a complex organic compound commonly used in pharmaceutical applications. It contains a piperidine ring and a hydroxylated diphenylmethyl group, making it a potential candidate for drug development. The compound is typically a white to off-white solid with solubility in polar solvents and is known for its stability under normal conditions.

What are the main uses of 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1) (CAS: 153439-40-8)?

This compound is primarily used in pharmaceutical research as a potential drug candidate, particularly in the development of antipsychotic medications. It may also find applications in organic synthesis due to its functional groups. Its specific use depends on the research context, and it is often studied for its biological activity and pharmacological properties.

Is 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1) (CAS: 153439-40-8) safe?

Safety of this compound should be evaluated on a case-by-case basis, as it may have potential toxicity depending on exposure conditions. It is generally recommended to handle it with appropriate protective equipment, such as gloves and goggles, and to follow standard laboratory safety protocols. Always consult safety data sheets (SDS) and regulatory guidelines for proper handling and disposal.

How should 2-[4-(1-Hydroxy-4-{4-[hydroxy(diphenyl)methyl]-1-piperidinyl}butyl)phenyl]-2-methylpropanoic acid hydrochloride (1:1) (CAS: 153439-40-8) be stored?

This compound should be stored in a cool, dry, and dark place to maintain stability. It is best kept in a sealed container away from moisture and air. Storage at temperatures below 25°C is recommended to prevent degradation. Avoid exposure to strong light and ensure proper ventilation when handling in a laboratory setting.