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Mebeverine Hydrochloride - 10mM in DMSO, high purity , CAS No.2753-45-9(DMSO)
Basic Description
Synonyms
15VZ5AL4JN | MEBEVERINE HYDROCHLORIDE | CSAG 144 | Mebeverine-d6 Hydrochloride | Mebeverine HCl | CAS-2753-45-9 | MLS000028652 | Colofac | NSC-169101 | Mebeverine (hydrochloride) | Duspatal | Duspatalin | DTXSID1045372 | Csag-144
Specifications & Purity
Moligand™, 10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Product Description
Mebeverine hydrochloride, a β-phenylethylamine derivative, is a musculotropic agent that potently blocks intestinal peristalsis. Mebeverine directly blocks voltage-operated sodium channels and inhibits intracellular calcium accumulation.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Methoxybenzoic acids and derivatives
Direct Parent
P-methoxybenzoic acids and derivatives
Alternative Parents
M-methoxybenzoic acids and derivatives Amphetamines and derivatives Dimethoxybenzenes Benzoic acid esters Phenylpropanes Phenoxy compounds Anisoles Benzoyl derivatives Alkyl aryl ethers Aralkylamines Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Hydrochlorides Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
M-methoxybenzoic acid or derivatives - P-methoxybenzoic acid or derivatives - Amphetamine or derivatives - Benzoate ester - Dimethoxybenzene - O-dimethoxybenzene - Phenylpropane - Methoxybenzene - Anisole - Phenol ether - Phenoxy compound - Benzoyl - Alkyl aryl ether - Aralkylamine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxide - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as p-methoxybenzoic acids and derivatives. These are benzoic acids in which the hydrogen atom at position 4 of the benzene ring is replaced by a methoxy group.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
4-[ethyl-[1-(4-methoxyphenyl)propan-2-yl]amino]butyl 3,4-dimethoxybenzoate;hydrochloride
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
Smiles
CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl
Isomeric SMILES
CCN(CCCCOC(=O)C1=CC(=C(C=C1)OC)OC)C(C)CC2=CC=C(C=C2)OC.Cl
WGK Germany
3
RTECS
YX5425000
Molecular Weight
466.01
Reaxy-Rn
9825099
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9825099&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
466.000 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
14
Exact Mass
465.228 Da
Monoisotopic Mass
465.228 Da
Topological Polar Surface Area
57.200 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
494.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
2
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