1-(1-Adamantyl)ethylamine hydrochloride - 10mM in DMSO , CAS No.1501-84-4

CAS: 1501-84-4 Cat. No.: A421767 Molecular Weight: 215.77 EC Number: 604-725-9

GRADE & PURITY 10mM in DMSO

Synonyms

Rimantadine hydrochloride|1501-84-4|Flumadine|Rimantadine HCL|Meradane|1-(1-ADAMANTYL)ETHYLAMINE HYDROCHLORIDE|EXP 126|alpha-Methyl-1-adamantanemethylamine hydrochloride|1-(Adamantan-1-yl)ethanamine hydrochloride|Rimantadine (hydrochloride)|1-(1-Aminoethy

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Application:

1-(1-Adamantyl)ethylamine hydrochloride is indicated for the prophylaxis and treatment of illness caused by various strains of influenza A virus in adults (17 years and older).

Specifications

Synonyms

Rimantadine hydrochloride | 1501-84-4 | Flumadine | Rimantadine HCL | Meradane | 1-(1-ADAMANTYL)ETHYLAMINE HYDROCHLORIDE | EXP 126 | alpha-Methyl-1-adamantanemethylamine hydrochloride | 1-(Adamantan-1-yl)ethanamine hydrochloride | Rimantadine (hydrochloride) | 1-(1-Aminoethy

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

M2 proton channel inhibitor. Inhibits influenza A virus in vivo. Shows greater blood-brain barrier permeability than amantadine hydrochloride . Orally active.

Storage

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: CC(C12CC3CC(C1)CC(C3)C2)N.Cl
• IUPAC Name: 1-(1-adamantyl)ethanamine;hydrochloride
• InChIKey: OZBDFBJXRJWNAV-UHFFFAOYSA-N
• INCHI: 1S/C12H21N.ClH/c1-8(13)12-5-9-2-10(6-12)4-11(3-9)7-12;/h8-11H,2-7,13H2,1H3;1H
• Isomeric SMILES: CC(C12CC3CC(C1)CC(C3)C2)N.Cl
• WGK Germany: 3
• RTECS: AU4717000
• Molecular Weight: 215.77
• Reaxy-Rn: 3623918
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3623918&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Hydrochloride - Primary aliphatic amine - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• External Descriptors: organic molecular entity

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

• Melt Point(°C): 375°C
• Molecular Weight: 215.760 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 215.144 Da
• Monoisotopic Mass: 215.144 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 180.000
• 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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