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Substance Name: Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate
RN: 69440-45-5
InChIKey: MQWIQBLFSDIUQY-UHFFFAOYSA-M

Molecular Formula

  • C12-H17-N2-O2.Br

Molecular Weight

  • 301.1823
 
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Names and Synonyms

Synonyms

  • 3-Dimethylcarbamoyloxy-1-(2-methylallyl)pyridinium bromide
  • Pyridinium, 3-dimethylcarbamoyloxy-1-(2-methylallyl)-, bromide

Systematic Name

  • Pyridinium, 3-hydroxy-1-(2-methylallyl)-, bromide, dimethylcarbamate

Registry Numbers

CAS Registry Number

  • 69440-45-5

System Generated Number

  • 0069440455

Molecular Formulas

Molecular Formula

  • C12-H17-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C12-H17-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C12H17N2O2.BrH/c1-10(2)8-14-7-5-6-11(9-14)16-12(15)13(3)4;/h5-7,9H,1,8H2,2-4H3;1H/q+1;/p-1

InChIKey

MQWIQBLFSDIUQY-UHFFFAOYSA-M

Smiles

CC(=C)C[n+]1cccc(c1)OC(=O)N(C)C.[Br-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 2500ug/kg (2.5mg/kg)   Journal of the American Chemical Society. Vol. 73, Pg. 1210, 1951.