Etidocaine Hydrochloride - Moligand™, ≥98% , Sodium channel alpha subunit blocker, CAS No.36637-19-1, Sodium channel alpha subunit blocker

CAS: 36637-19-1 Cat. No.: E357555 Molecular Weight: 312.88 EC Number: 253-144-3

GRADE & PURITY Moligand™, ≥98%

Synonyms

Duranest Hydrochloride | MFCD09055365 | SB38037 | ETIDOCAINE HYDROCHLORIDE [VANDF] | Etidocaine HCl | (1)-N-(2,6-Dimethylphenyl)-2-(ethylpropylamino)butyramide monohydrochloride | CHEBI:4905 | FT-0696974 | AC-3241 | EINECS 253-144-3 | 1290125-23-3 | SCHEM

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

Duranest Hydrochloride | MFCD09055365 | SB38037 | ETIDOCAINE HYDROCHLORIDE [VANDF] | Etidocaine HCl | (1)-N-(2, 6-Dimethylphenyl)-2-(ethylpropylamino)butyramide monohydrochloride | CHEBI:4905 | FT-0696974 | AC-3241 | EINECS 253-144-3 | 1290125-23-3 | SCHEM

Specifications & Purity

Moligand™, ≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

BLOCKER

Mechanism of action

Sodium channel alpha subunit blocker

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C.Cl
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[ethyl(propyl)amino]butanamide;hydrochloride
• InChIKey: LMWQQUMMGGIGJQ-UHFFFAOYSA-N
• INCHI: 1S/C17H28N2O.ClH/c1-6-12-19(8-3)15(7-2)17(20)18-16-13(4)10-9-11-14(16)5;/h9-11,15H,6-8,12H2,1-5H3,(H,18,20);1H
• Isomeric SMILES: CCCN(CC)C(CC)C(=O)NC1=C(C=CC=C1C)C.Cl
• Alternate CAS: 36637-18-0
• Molecular Weight: 312.88
• Reaxy-Rn: 6755107
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6755107&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Anilides m-Xylenes N-arylamides Fatty amides Trialkylamines Secondary carboxylic acid amides Organopnictogen compounds Organic zwitterions Organic oxides Organic chloride salts Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-amino acid amide - Anilide - M-xylene - Xylene - N-arylamide - Monocyclic benzene moiety - Fatty amide - Fatty acyl - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Organic nitrogen compound - Organic zwitterion - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Melt Point(°C): 202-204° C
• Molecular Weight: 312.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 7
• Exact Mass: 312.197 Da
• Monoisotopic Mass: 312.197 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 283.000
• 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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