4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride (1:1)

Basic Information

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CAS Number

2753-45-9

Molecular Formula

C25H36ClNO5

Molecular Weight

466.02 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

105-107 C

Boiling Point

543.8°Cat760mmHg

Flash Point

282.7°C

SMILES

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CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl

InChI

InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H

InChIKey

PLGQWYOULXPJRE-UHFFFAOYSA-N

LogP

5.0243000000000055

Topological Polar Surface Area

57.230000000000004 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

494

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

DTXCID9025372
A819105
HMS1568N22
3,4-Dimethoxybenzoicacid4-ethyl2-(4-methoxyphenyl)-1-methylethylaminobutylesterhydrochloride
4-[Ethyl(p-methoxy-.alpha.-methylphenethyl)amino]butyl veratrate hydrochloride
CHEMBL1446650
NSC757840
Mebeverine HCl pound>>Csag-144 pound>>Csag 144 pound>>Csag144
Veratric acid, 4-(ethyl(p-methoxy-alpha-methylphenethyl)amino)butyl ester, hydrochloride
15VZ5AL4JN
CS-6931
Duspatal
Tox21_110527_1
CCG-39022
Mebeverine HCl
Colofac
Mebeverine hydrochloride [USAN]
4-(Ethyl(p-methoxy-alpha-methylphenethyl)amino)butyl veratrate hydrochloride
D04868
3,4-dimethoxybenzoic acid 4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl ester hydrochloride
N16922
MEBEVERINE HYDROCHLORIDE
EX-A4568
s5027
NCGC00016617-01
Veratric acid, 4-[ethyl(p-methoxy-.alpha.-methylphenethyl)amino]butyl ester hydrochloride
WLN: 1OR BO1 DVO4N2&Y1&1R DO1 &GH
Pharmakon1600-01501117
Opera_ID_1589
SCHEMBL121977
SPECTRUM1501117

MDL Number

MFCD00083411

FAQ

What is 4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride (CAS: 2753-45-9)?

4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride is a chemical compound with the CAS number 2753-45-9. It consists of a complex molecular structure, which includes ethyl, amino, and hydroxy functionalities, and is often used in pharmaceutical applications.

What are the main uses of 4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride (CAS: 2753-45-9)?

This compound is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It can also be used in research applications for drug development and as a reagent in chemical synthesis.

Is 4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride (CAS: 2753-45-9) safe?

While generally safe under normal handling conditions, this compound should be used with caution. It is important to follow all recommended safety guidelines, including the use of appropriate personal protective equipment and adherence to storage and disposal protocols.

How should 4-{Ethyl[1-(4-methoxyphenyl)-2-propanyl]amino}butyl 3,4-dimethoxybenzoate hydrochloride (CAS: 2753-45-9) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and heat sources. It should be kept in a tightly closed container to prevent degradation. Optimal storage conditions include a temperature range of 15-25°C and relative humidity below 60%.