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Choline chloride C-11 , Diagnostic agent, CAS No.87591-54-6, Diagnostic agent

COA

Cas Number: 87591-54-6
Molecular Weight: 138.62
PubChem CID: 14989482

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Item Number

C671123

Grouped product items
SKU	Size	Availability	Price	Qty
C671123-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$999.90

Basic Description

Synonyms	Choline chloride C-11 \| Choline (11C) \| 381E0BTR5Q \| EN300-7604188 \| CHEMBL2095207 \| [N-methyl-(11)C]choline chloride \| 11C-choline chloride \| 2-hydroxy-N,N-dimethyl-N-((11)C)methylethanaminium chloride \| CHEBI:72321 \| Q22075900 \| Choline C 11 \| DB09277 \|
Mechanism of action	Diagnostic agent

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Quaternary ammonium salts

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Quaternary ammonium salts
Intermediate Tree Nodes	Not available
Direct Parent	Cholines
Alternative Parents	Tetraalkylammonium salts 1,2-aminoalcohols Primary alcohols Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Choline - Tetraalkylammonium salt - 1,2-aminoalcohol - Alkanolamine - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic chloride salt - Organic salt - Organic zwitterion - Primary alcohol - Organooxygen compound - Amine - Alcohol - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as cholines. These are organic compounds containing a N,N,N-trimethylethanolammonium cation.
External Descriptors	chloride salt - quaternary ammonium salt
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

Names and Identifiers

IUPAC Name	2-hydroxyethyl-dimethyl-(111C)methylazanium;chloride
INCHI	InChI=1S/C5H14NO.ClH/c1-6(2,3)4-5-7;/h7H,4-5H2,1-3H3;1H/q+1;/p-1/i1-1;
InChIKey	SGMZJAMFUVOLNK-ULWFUOSBSA-M
Smiles	C[N+](C)(C)CCO.[Cl-]
Isomeric SMILES	C[N+](C)([11CH3])CCO.[Cl-]
Molecular Weight	138.62
Reaxy-Rn	21823810
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21823810&ln=

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