Amodiaquine hydrochloride - ≥98% , CAS No.69-44-3

CAS: 69-44-3 Cat. No.: A413291 Molecular Weight: 428.79 EC Number: 200-706-0 PubChem CID: 6246

GRADE & PURITY ≥98%

Synonyms

7-Chloro-4-(3'-diethylaminomethyl-4'-hydroxyanilino)quinoline dihydrochloride | 4-(7-chloroquinolin-4-ylamino)-2-((diethylamino)methyl)phenol dihydrochloride | AMODIAQUINE HYDROCHLORIDE DIHYDRATE | AMODIAQUINE HYDROCHLORIDE (MART.) | O-CRESOL, 4-((7-CHLOR

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Amodiaquine Hydrochloride is the hydrochloride salt of amodiaquine, an orally active 4-aminoquinoline derivative with antimalarial and anti-inflammatory properties.

Specifications

Synonyms

7-Chloro-4-(3'-diethylaminomethyl-4'-hydroxyanilino)quinoline dihydrochloride | 4-(7-chloroquinolin-4-ylamino)-2-((diethylamino)methyl)phenol dihydrochloride | AMODIAQUINE HYDROCHLORIDE DIHYDRATE | AMODIAQUINE HYDROCHLORIDE (MART.) | O-CRESOL, 4-((7-CHLOR

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Amodiaquine Hydrochloride is the hydrochloride salt of amodiaquine, an orally active 4-aminoquinoline derivative with antimalarial and anti-inflammatory properties.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751038
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751038
• Canonical Smiles: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
• IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrochloride
• InChIKey: ROEBJVHPINPMKL-UHFFFAOYSA-N
• INCHI: 1S/C20H22ClN3O.2ClH/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19;;/h5-12,25H,3-4,13H2,1-2H3,(H,22,23);2*1H
• Isomeric SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.Cl.Cl
• PubChem CID: 6246
• Molecular Weight: 428.79

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Aminoquinolines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-aminoquinolines
• Alternative Parents: Chloroquinolines p-Aminophenols Phenylmethylamines Aniline and substituted anilines Benzylamines 1-hydroxy-2-unsubstituted benzenoids Aminopyridines and derivatives Aralkylamines Aryl chlorides Heteroaromatic compounds Trialkylamines Secondary amines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4-aminoquinoline - Haloquinoline - Chloroquinoline - Aminophenol - P-aminophenol - Phenylmethylamine - Benzylamine - Aniline or substituted anilines - 1-hydroxy-2-unsubstituted benzenoid - Aminopyridine - Phenol - Aralkylamine - Pyridine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl chloride - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrochloride - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 4-aminoquinolines. These are organic compounds containing an amino group attached to the 4-position of a quinoline ring system.
• 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

Associated Targets(Human)

Huh-7 (12904 Activities)

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SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Middle East respiratory syndrome-related coronavirus (220 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 56 mg/mL (130.6 mM)
• Sensitivity: Moisture sensitive；Light sensitive
• Molecular Weight: 428.800 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 427.098 Da
• Monoisotopic Mass: 427.098 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 406.000
• 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: 3

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