Chloroprocaine HCl - ≥98% , Sodium channel alpha subunit blocker, CAS No.3858-89-7, Sodium channel alpha subunit blocker

CAS: 3858-89-7 Cat. No.: C413096 Molecular Weight: 307.22 EC Number: 223-371-2 PubChem CID: 441348

GRADE & PURITY ≥98%

Synonyms

NCGC00183273-01 | (CHLOROPROCAINE HCI | B2867 | A912305 | CHLOROPROCAINE HYDROCHLORIDE [USP-RS] | chloroprocaine hydrochloride ophthalmic gel | DTXCID6028521 | (2-(4-Amino-2-chloro-benzoyloxy)-ethyl)-diethyl-ammonium; chloride | 2-(diethylamino)ethyl 4-am

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Information

Chloroprocaine HCl Chloroprocaine HCl is a local anesthetic during surgical procedures.

Specifications

Synonyms

NCGC00183273-01 | (CHLOROPROCAINE HCI | B2867 | A912305 | CHLOROPROCAINE HYDROCHLORIDE [USP-RS] | chloroprocaine hydrochloride ophthalmic gel | DTXCID6028521 | (2-(4-Amino-2-chloro-benzoyloxy)-ethyl)-diethyl-ammonium; chloride | 2-(diethylamino)ethyl 4-am

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Chloroprocaine HCl is a local anesthetic during surgical procedures.

Storage

Protected from light, Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Action Type

BLOCKER

Mechanism of action

Sodium channel alpha subunit blocker

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758759
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758759
• Canonical Smiles: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.Cl
• IUPAC Name: 2-(diethylamino)ethyl 4-amino-2-chlorobenzoate;hydrochloride
• InChIKey: SZKQYDBPUCZLRX-UHFFFAOYSA-N
• INCHI: 1S/C13H19ClN2O2.ClH/c1-3-16(4-2)7-8-18-13(17)11-6-5-10(15)9-12(11)14;/h5-6,9H,3-4,7-8,15H2,1-2H3;1H
• Isomeric SMILES: CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl.Cl
• PubChem CID: 441348
• Molecular Weight: 307.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: 2-halobenzoic acids and derivatives Aminobenzoic acids and derivatives Aniline and substituted anilines Benzoyl derivatives Chlorobenzenes Aryl chlorides Vinylogous halides Trialkylamines Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds Primary amines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Aminobenzoic acid or derivatives - Benzoate ester - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Primary amine - Organohalogen compound - Amine - Hydrochloride - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: hydrochloride

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

• Solubility: Solubility (25°C) In vitro DMSO: 61 mg/mL (198.55 mM); Water: 61 mg/mL (198.55 mM); Ethanol: Insoluble
• Sensitivity: Light sensitive
• Molecular Weight: 307.210 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 306.09 Da
• Monoisotopic Mass: 306.09 Da
• Topological Polar Surface Area: 55.600 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 259.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3