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Mebeverine hydrochloride

Mebeverine hydrochloride structure

CAS No:
2753-45-9
Formula:
C25H35NO5.ClH
Chemical Name:
Mebeverine hydrochloride
Synonyms:
Benzoic acid,3,4-dimethoxy-,4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester,hydrochloride (1:1);Veratric acid,4-[ethyl(p-methoxy-α-methylphenethyl)amino]-,butyl ester,hydrochloride;Benzoic acid,3,4-dimethoxy-,4-[ethyl[2-(4-methoxyphenyl)-1-methylethyl]amino]butyl ester,hydrochloride;1-Butanol,4-[ethyl(p-methoxy-α-methylphenethyl)amino]-,veratrate,hydrochloride;CSAG 144;4-[Ethyl(p-methoxy-α-methylphenethyl)amino]butyl veratrate hydrochloride;4′-[N-Ethyl-1′′-methyl-2′′-(4′′′-methoxyphenyl)ethylamino]butyl 3,4-dimethoxybenzoate hydrochloride;Mebeverine hydrochloride;Duspatalin;Colofac;Duspatal;NSC 169101;Colospasmin;Mebaspa;Colaspa;Spasmotaline;Duspataline;Coloverine;Colospasmine fort;14505-94-3
Categories:
Organic Chemistry > Amides

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Description

White Solid

Mebeverine hydrochloride Basic Attributes

Molecular Weight：

466.01

Exact Mass：

465.22800

EC Number：

220-400-0

NSC Number：

757840|169101

DSSTox ID：

DTXSID1045372

Characteristics

PSA：

57.2

XLogP3：

5.40450

Melting Point：

125-127 °C

Boiling Point：

543.8ºC at 760mmHg

Flash Point：

282.7ºC

Storage Conditions：

2-8°C

Vapor Pressure：

6.92E-12mmHg at 25°C

Collision Cross Section：

205.7 Å² [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

22-36/37/38

safety instructions：

36-26

RTECS Number：

YX5425000

Marks：

Xn,Xi

Precautionary statement(s)：

P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, P501

Hazard Statements：

H302

GHS Classification：

|Danger|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P273, P280, P301+P312, P305+P351+P338, P310, P330, P391, and P501|Aggregated GHS information provided by 87 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS. (See all compounds classified as Parasympatholytics.)|Drugs used to prevent SEIZURES or reduce their severity. (See all compounds classified as Anticonvulsants.)

MeSH Entry Terms：

4-(ethyl-(4-methoxy-alpha-methylphenethyl)aminobutyl) veratrate

Mebeverine hydrochloride Use and Manufacturing

Smooth muscle relaxant. Antispasmodic.

Computed Properties

Molecular Weight:466.0
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:465.2282009
Monoisotopic Mass:465.2282009
Topological Polar Surface Area:57.2
Heavy Atom Count:32
Complexity:494
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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CAS No.: 2753-45-9

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CAS No.: 2753-45-9

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