Quinelorane hydrochloride - ≥99%(HPLC) , CAS No.97548-97-5

CAS: 97548-97-5 Cat. No.: Q286568 分子式: C₁₄H₂₂N₄.₂HCl 分子量: 319.27 PubChem CID: 68728

GRADE & PURITY ≥99%(HPLC)

Synonyms

Quinelorane HCl | AKOS024456645 | (5ar,9ar)-6-propyl-5,5a,6,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-2-amine dihydrochloride | Quinelorane dihydrochloride | SR-01000075398-1 | (-)-(5aR,9aR)-2-Amino-5,5a,6,7,8,9,9a,10-octahydro-6-propylpyrido(2,3-g)qui

Storage

Room temperature,Desiccated

Shipped In

Normal

Specifications

同義語

Quinelorane HCl | AKOS024456645 | (5ar,9ar)-6-propyl-5,5a,6,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-2-amine dihydrochloride | Quinelorane dihydrochloride | SR-01000075398-1 | (-)-(5aR,9aR)-2-Amino-5,5a,6,7,8,9,9a,10-octahydro-6-propylpyrido(2,3-g)qui

仕様と純度

≥99%(HPLC)

生化学的・生理学的メカニズム

Dopamine D2and D3receptor agonist; Kivalues are 5.7 and 3.4 nM respectively.

保管条件

Room temperature,Desiccated

入荷

Normal

純度

≥99%(HPLC)

名前と識別子

• カノニカル・スマイル: CCCN1CCCC2C1CC3=CN=C(N=C3C2)N.Cl.Cl
• IUPAC Name: (5aR,9aR)-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine;dihydrochloride
• InChIKey: WDEMLQIGYYLRRX-OWVUFADGSA-N
• INCHI: 1S/C14H22N4.2ClH/c1-2-5-18-6-3-4-10-7-12-11(8-13(10)18)9-16-14(15)17-12;;/h9-10,13H,2-8H2,1H3,(H2,15,16,17);2*1H/t10-,13-;;/m1../s1
• 異性体SMILES: CCCN1CCC[C@H]2[C@H]1CC3=CN=C(N=C3C2)N.Cl.Cl
• PubChem CID: 68728
• 分子量: 319.27

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Diazanaphthalenes
      • Subclass Benzodiazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Diazanaphthalenes
• Subclass: Benzodiazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinazolines
• Alternative Parents: Aralkylamines Aminopyrimidines and derivatives Piperidines Heteroaromatic compounds Trialkylamines Azacyclic compounds Primary amines Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinazoline - Aminopyrimidine - Aralkylamine - Piperidine - Pyrimidine - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Primary amine - Organopnictogen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:water, Max Conc. mg/mL: 7.98, Max Conc. mM: 25
• 分子量: 319.300 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 318.138 Da
• Monoisotopic Mass: 318.138 Da
• Topological Polar Surface Area: 55.000 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 283.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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: 3

XLogP3

よくある質問

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 97548-97-5, the molecular formula is C??H??N?.?HCl, and the molecular weight is 319.27 g/mol. InChIKey WDEMLQIGYYLRRX-OWVUFADGSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.