Amifampridine phosphate , Voltage-gated potassium channel blocker, CAS No.446254-47-3, Voltage-gated potassium channel blocker

CAS: 446254-47-3 Cat. No.: A671064 Molecular Weight: 207.12 EC Number: 695-622-8 PubChem CID: 9920716

Synonyms

Amifampridine phosphate | CHEMBL3301611 | Amifampridine phosphate [WHO-DD] | Firdapse (TN) | 3,4-diaminopyridin-1-ium dihydrogen phosphate | Amifampridine phosphate (USAN) | Zenas | AKOS040758593 | Amifampridine phosphate [EMA EPAR] | 8HF8FIN815 | starbld

Storage

Room temperature

Specifications

Synonyms

Amifampridine phosphate | CHEMBL3301611 | Amifampridine phosphate [WHO-DD] | Firdapse (TN) | 3, 4-diaminopyridin-1-ium dihydrogen phosphate | Amifampridine phosphate (USAN) | Zenas | AKOS040758593 | Amifampridine phosphate [EMA EPAR] | 8HF8FIN815 | starbld

Storage

Room temperature

Action Type

BLOCKER

Mechanism of action

Voltage-gated potassium channel blocker

Names and Identifiers

• Canonical Smiles: C1=CN=CC(=C1N)N.OP(=O)(O)O
• IUPAC Name: phosphoric acid;pyridine-3,4-diamine
• InChIKey: KAICRBBQCRKMPO-UHFFFAOYSA-N
• INCHI: 1S/C5H7N3.H3O4P/c6-4-1-2-8-3-5(4)7;1-5(2,3)4/h1-3H,7H2,(H2,6,8);(H3,1,2,3,4)
• Isomeric SMILES: C1=CN=CC(=C1N)N.OP(=O)(O)O
• PubChem CID: 9920716
• Molecular Weight: 207.12

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Aminopyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Aminopyridines and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Aminopyridines and derivatives
• Alternative Parents: Organic phosphoric acids and derivatives Heteroaromatic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aminopyridine - Organic phosphoric acid derivative - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminopyridines and derivatives. These are organic heterocyclic compounds containing an amino group attached to 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

Chemical and Physical Properties

• Molecular Weight: 207.120 g/mol
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 207.041 Da
• Monoisotopic Mass: 207.041 Da
• Topological Polar Surface Area: 143.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 124.000
• 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

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