AGN 192403 hydrochloride , CAS No.1021868-90-5

CAS: 1021868-90-5 Cat. No.: A286901 Molecular Weight: 189.73

Synonyms

(2-endo,3exo)-3-(Methylethyl)-bicyclo[2.2.1]heptan-2-amine hydrochloride | AGN 192403 | SR-01000075245-3 | 3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride | AGN192403 hydrochloride;AGN-192403 hydrochloride | AKOS024456370 | SR-01000075245 | 102186

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

(2-endo, 3exo)-3-(Methylethyl)-bicyclo[2.2.1]heptan-2-amine hydrochloride | AGN 192403 | SR-01000075245-3 | 3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride | AGN192403 hydrochloride;AGN-192403 hydrochloride | AKOS024456370 | SR-01000075245 | 102186

Biochemical and Physiological Mechanisms

I1imidazoline binding site selective ligand with a potency at I1comparable to moxonidine, but devoid of affinity for adrenoceptors and the I2binding site. Causes none of the physiological responses associated with the I1binding site in animal models. Also

Storage

Room temperature

Shipped In

Normal

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: CC(C)C1C2CCC(C2)C1N.Cl
• IUPAC Name: 3-propan-2-ylbicyclo[2.2.1]heptan-2-amine;hydrochloride
• InChIKey: KSTGYMXUFHCTSM-UHFFFAOYSA-N
• INCHI: 1S/C10H19N.ClH/c1-6(2)9-7-3-4-8(5-7)10(9)11;/h6-10H,3-5,11H2,1-2H3;1H
• Isomeric SMILES: CC(C)C1C2CCC(C2)C1N.Cl
• Molecular Weight: 189.73
• Reaxy-Rn: 50572003
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=50572003&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Monoterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Monoterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Bicyclic monoterpenoids
• Alternative Parents: Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Bicyclic monoterpenoid - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
• 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

• Solubility: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Molecular Weight: 189.720 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 189.128 Da
• Monoisotopic Mass: 189.128 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 153.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• 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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