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Substance Name: Acetyl-seco-hemicholinium-3
RN: 40374-51-4
InChIKey: QPULBBAOQANKLD-UHFFFAOYSA-L

Note

  • Inhibitor of choline acetyltransferase.

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H38-N2-O6.2Br

Molecular Weight

  • 658.424
 
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Names and Synonyms

Name of Substance

  • Acetyl-seco-hemicholinium-3

Synonyms

  • Acetyl-seco-hemicholinium-3
  • Acetylseco hemicholinium-3-bromide
  • AcHc-3(2)

Systematic Name

  • Ammonium, (4,4'-biphenylylenebis(2-oxoethylene))bis((2-acetoxyethyl)dimethyl-, dibromide

Registry Numbers

CAS Registry Number

  • 40374-51-4

Other Registry Number

  • 50698-75-4

System Generated Number

  • 0040374514

Molecular Formulas

Molecular Formula

  • C28-H38-N2-O6.2Br

Molecular Formula Fragments

  • Br
  • C28-H38-N2-O6
  • COMPONENT

Structure Descriptors

InChI

1S/C28H38N2O6.2BrH/c1-21(31)35-17-15-29(3,4)27(33)19-23-7-11-25(12-8-23)26-13-9-24(10-14-26)20-28(34)30(5,6)16-18-36-22(2)32;;/h7-14H,15-20H2,1-6H3;2*1H/q+2;;/p-2

InChIKey

QPULBBAOQANKLD-UHFFFAOYSA-L

Smiles

c1(c2ccc(CC([N+](CCOC(C)=O)(C)C)=O)cc2)ccc(CC([N+](CCOC(C)=O)(C)C)=O)cc1.[BrH-].[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 125ug/kg (0.125mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

BEHAVIORAL: ATAXIA
Journal of Medicinal Chemistry. Vol. 19, Pg. 760, 1976.