Hydroxychloroquine, (S)- - ≥95% , CAS No.137433-24-0

CAS: 137433-24-0 Cat. No.: H1345610 Molecular Weight: 335.87 PubChem CID: 178396

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Action Type

INHIBITOR

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
• IUPAC Name: 2-[[(4S)-4-[(7-chloroquinolin-4-yl)amino]pentyl]-ethylamino]ethanol
• InChIKey: XXSMGPRMXLTPCZ-AWEZNQCLSA-N
• INCHI: 1S/C18H26ClN3O/c1-3-22(11-12-23)10-4-5-14(2)21-17-8-9-20-18-13-15(19)6-7-16(17)18/h6-9,13-14,23H,3-5,10-12H2,1-2H3,(H,20,21)/t14-/m0/s1
• Isomeric SMILES: CCN(CCC[C@H](C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO
• PubChem CID: 178396
• Molecular Weight: 335.87

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 Secondary alkylarylamines Aminopyridines and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chloroquinoline - 4-aminoquinoline - Haloquinoline - Aminopyridine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Secondary amine - Azacycle - Alkanolamine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Alcohol - Primary alcohol - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - 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

Chemical and Physical Properties

• Molecular Weight: 335.900 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 335.176 Da
• Monoisotopic Mass: 335.176 Da
• Topological Polar Surface Area: 48.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 331.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 1