Tafenoquine Succinate - ≥99% , CAS No.106635-81-8

CAS: 106635-81-8 Cat. No.: T768940 Molecular Weight: 581.58 EC Number: 629-904-9 PubChem CID: 163761

GRADE & PURITY ≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Tafenoquine Succinate (WR 238605 Succinate) is an 8-aminoquinoline.Tafenoquine is used as an anti-malarial prophylactic.

Specifications

Specifications & Purity

≥99%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O
• IUPAC Name: butanedioic acid;4-N-[2,6-dimethoxy-4-methyl-5-[3-(trifluoromethyl)phenoxy]quinolin-8-yl]pentane-1,4-diamine
• InChIKey: CQBKFGJRAOXYIP-UHFFFAOYSA-N
• INCHI: 1S/C24H28F3N3O3.C4H6O4/c1-14-11-20(32-4)30-22-18(29-15(2)7-6-10-28)13-19(31-3)23(21(14)22)33-17-9-5-8-16(12-17)24(25,26)27;5-3(6)1-2-4(7)8/h5,8-9,11-13,15,29H,6-7,10,28H2,1-4H3;1-2H2,(H,5,6)(H,7,8)
• Isomeric SMILES: CC1=CC(=NC2=C1C(=C(C=C2NC(C)CCCN)OC)OC3=CC=CC(=C3)C(F)(F)F)OC.C(CC(=O)O)C(=O)O
• WGK Germany: 3
• PubChem CID: 163761
• Molecular Weight: 581.58

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Quinolones and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolones and derivatives
• Alternative Parents: Aminoquinolines and derivatives Diarylethers Trifluoromethylbenzenes Methoxyanilines Phenoxy compounds Anisoles Secondary alkylarylamines Alkyl aryl ethers Methylpyridines Fatty acids and conjugates Dicarboxylic acids and derivatives Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Monoalkylamines Organic oxides Organofluorides Alkyl fluorides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Aminoquinoline - Quinolone - Diaryl ether - Trifluoromethylbenzene - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Methylpyridine - Secondary aliphatic/aromatic amine - Pyridine - Fatty acid - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Secondary amine - Organohalogen compound - Primary aliphatic amine - Amine - Alkyl halide - Hydrocarbon derivative - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolones and derivatives. These are compounds containing a quinoline moiety which bears a ketone 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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 581.600 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 12
• Exact Mass: 581.235 Da
• Monoisotopic Mass: 581.235 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 41
• Formal Charge: 0
• Complexity: 690.000
• 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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