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Substance Name: 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide
RN: 112483-26-8
InChIKey: QQXGIHDPMVPWDQ-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H21-N2-O.I

Molecular Weight

  • 336.2109
 
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Names and Synonyms

Synonyms

  • 4-(2-Methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-2-butyn-1-aminium iodide
  • N-(4-(Dimethylamino)-2-butynyl)-5-methyl-2-pyrrolidone methiodide

Systematic Name

  • 2-Butyn-1-aminium, 4-(2-methyl-5-oxo-1-pyrrolidinyl)-N,N,N-trimethyl-, iodide

Registry Numbers

CAS Registry Number

  • 112483-26-8

System Generated Number

  • 0112483268

Molecular Formulas

Molecular Formula

  • C12-H21-N2-O.I

Molecular Formula Fragments

  • C12-H21-N2-O
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C12H21N2O.HI/c1-11-7-8-12(15)13(11)9-5-6-10-14(2,3)4;/h11H,7-10H2,1-4H3;1H/q+1;/p-1

InChIKey

QQXGIHDPMVPWDQ-UHFFFAOYSA-M

Smiles

CC1CCC(=O)N1CC#CC[N+](C)(C)C.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 11297ug/kg (11.297mg/kg)   Journal of Medicinal Chemistry. Vol. 31, Pg. 683, 1988.