Acetylcholine bromide - ≥98% , CAS No.66-23-9

CAS: 66-23-9 Cat. No.: A106023 分子式: C₇H₁₆BrNO₂ 分子量: 226.11 Beilstein Registry Number: 3572117 EC番号: 200-622-4

グレード＆純度 ≥98%

Synonyms

C12HG588IF | EINECS 200-622-4 | NSC 4678 | NSC4678 | NSC-4678 | Acetylcholine (bromide) | 2-acetoxy-N,N,N-trimethylethanaminium bromide | 2-acetyloxyethyl(trimethyl)azanium;bromide | A0083 | D88210 | HMS3371L05 | MFCD00011814 | Acetylcholine hydrobromide

Storage

Store at 2-8°C

Shipped In

Wet ice

仕様

同義語

C12HG588IF | EINECS 200-622-4 | NSC 4678 | NSC4678 | NSC-4678 | Acetylcholine (bromide) | 2-acetoxy-N,N,N-trimethylethanaminium bromide | 2-acetyloxyethyl(trimethyl)azanium;bromide | A0083 | D88210 | HMS3371L05 | MFCD00011814 | Acetylcholine hydrobromide

仕様と純度

≥98%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

パブケム・シド

508814540

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/508814540

カノニカル・スマイル

CC(=O)OCC[N+](C)(C)C.[Br-]

IUPAC Name

2-acetyloxyethyl(trimethyl)azanium;bromide

InChIKey

ZEHGKSPCAMLJDC-UHFFFAOYSA-M

INCHI

1S/C7H16NO2.BrH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1

異性体SMILES

CC(=O)OCC[N+](C)(C)C.[Br-]

WGKドイツ

3

RTECS

FZ9680000

分子量

226.11

Beilstein

3572117

Reaxy-Rn

3572117

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3572117&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • 分類 Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Level5 Cholines
          • Level6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• 分類: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Tetraalkylammonium salts Carboxylic acid esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Tetraalkylammonium salt - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organooxygen compound - Carbonyl group - Amine - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• External Descriptors: quaternary ammonium salt - bromide salt

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

関連ターゲット（人間）

NPY2R Tchem Neuropeptide Y receptor type 2 (3731 Activities)

Discover Target: NPY2R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GAA Tclin Lysosomal alpha-glucosidase (35701 Activities)

Discover Target: GAA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GALR3 Tchem Galanin receptor 3 (273 Activities)

Discover Target: GALR3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAB9A Tbio Ras-related protein Rab-9A (22488 Activities)

Discover Target: RAB9A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

関連ターゲット（非人間）

Npy1r Neuropeptide Y receptor type 1 (8 Activities)

Discover Target: Npy1r

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

NS1 Nonstructural protein 1 (33327 Activities)

Discover Target: NS1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Trpc4 Short transient receptor potential channel 4 (1615 Activities)

Discover Target: Trpc4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 感度: Light Sensitive,Air Sensitive,Hygroscopic
• 融点（°C）: 142-146°C
• 分子量: 226.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 225.036 Da
• Monoisotopic Mass: 225.036 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 115.000
• 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

XLogP3