Ethacridine lactate monohydrate - 10mM in DMSO , CAS No.6402-23-9

CAS: 6402-23-9 Cat. No.: E425248 Molecular Weight: 361.39 Beilstein Registry Number: 3642805 EC Number: 642-272-9

GRADE & PURITY 10mM in DMSO

Synonyms

7-ethoxyacridine-3,9-diamine; 2-oxidanylpropanoic acid; hydrate | ETHACRIDINE LACTATE ANHYDROUS | SCHEMBL1649444 | SY048313 | 7-ethoxyacridine-3,9-diamine; 2-hydroxypropanoic acid; hydrate | CCG-268179 | Ethacridine lactate monohydrate | ETHACRIDINE LACTA

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Ethacridine lactate monohydrate is an aromatic organic compound based on acridine used as an antiseptic agent.
An antiseptic agent that makes an effective abortifacient

Specifications

Synonyms

7-ethoxyacridine-3, 9-diamine; 2-oxidanylpropanoic acid; hydrate | ETHACRIDINE LACTATE ANHYDROUS | SCHEMBL1649444 | SY048313 | 7-ethoxyacridine-3, 9-diamine; 2-hydroxypropanoic acid; hydrate | CCG-268179 | Ethacridine lactate monohydrate | ETHACRIDINE LACTA

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

DNA intercalating antiseptic agent. Activates uterine mast cells. Induces myometrial contractions (EC 50 = 10 μM). Shows abortifacient effects in vivo.

Storage

Protected from light, Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O
• IUPAC Name: 7-ethoxyacridine-3,9-diamine;2-hydroxypropanoic acid;hydrate
• InChIKey: NYEPHMYJRNWPLA-UHFFFAOYSA-N
• INCHI: 1S/C15H15N3O.C3H6O3.H2O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13;1-2(4)3(5)6;/h3-8H,2,16H2,1H3,(H2,17,18);2,4H,1H3,(H,5,6);1H2
• Isomeric SMILES: CCOC1=CC2=C(C3=C(C=C(C=C3)N)N=C2C=C1)N.CC(C(=O)O)O.O
• WGK Germany: 3
• RTECS: OD4725000
• Molecular Weight: 361.39
• Beilstein: 3642805
• Reaxy-Rn: 15877846
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15877846&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives
      • Subclass Benzoquinolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Benzoquinolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Acridines
• Alternative Parents: 4-aminoquinolines Aminopyridines and derivatives Alkyl aryl ethers Benzenoids Alpha hydroxy acids and derivatives Heteroaromatic compounds Secondary alcohols Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Acridine - 4-aminoquinoline - Aminoquinoline - Alkyl aryl ether - Aminopyridine - Alpha-hydroxy acid - Benzenoid - Pyridine - Hydroxy acid - Heteroaromatic compound - Secondary alcohol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as acridines. These are organic compounds containing the acridine moiety, a linear tricyclic heterocycle which consists of two benzene rings joined by a pyridine ring.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Melt Point(°C): 243-245 °C
• Molecular Weight: 361.400 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 361.164 Da
• Monoisotopic Mass: 361.164 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 371.000
• 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: 3

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