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Substance Name: Propylbenzilylcholine mustard
RN: 36167-80-3
UNII: 0056KS5787
InChIKey: ADUIJCCNUGTGDH-UHFFFAOYSA-N

Note

  • An analog of benzilylcholine mustard. It is an alkylating nitrogen mustard analog that binds specifically and irreversibly to cholinergic muscarinic receptors and is used as an affinity label to isolate and study the receptors.

Molecular Formula

  • C21-H26-Cl-N-O3

Molecular Weight

  • 375.893
 

Classification Codes

  • Affinity Labels
  • Cholinergic Agents
  • Cholinergic Antagonists
  • Indicators and Reagents
  • Muscarinic Antagonists
  • Neurotransmitter Agents
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Names and Synonyms

Name of Substance

  • Propylbenzilylcholine mustard

MeSH Heading

  • Propylbenzilylcholine mustard

Synonym

  • UNII-0056KS5787

Systematic Name

  • Benzeneacetic acid, alpha-hydroxy-alpha-phenyl-, 2-((2-chloroethyl)propylamino)ethyl ester

Registry Numbers

CAS Registry Number

  • 36167-80-3

FDA UNII

  • 0056KS5787

System Generated Number

  • 0036167803

Structure Descriptors

InChI

1S/C21H26ClNO3/c1-2-14-23(15-13-22)16-17-26-20(24)21(25,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,25H,2,13-17H2,1H3

InChIKey

ADUIJCCNUGTGDH-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(c1ccccc1)(C(OCC[N@@](CCC)CCCl)=O)O