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Substance Name: Ammonium, (3,5-dihydroxyphenyl)trimethyl-, bromide, bis(dimethylcarbamate) (ester)
RN: 66941-37-5
InChIKey: VHFDMRCMOKLCJR-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H24-N3-O4.Br

Molecular Weight

  • 390.276
 
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Names and Synonyms

Synonyms

  • (3,5-Dihydroxyphenyl)trimethylammonium bromide bis(dimethylcarbamate) (ester)
  • Ro 2-0708

Systematic Name

  • Ammonium, (3,5-dihydroxyphenyl)trimethyl-, bromide, bis(dimethylcarbamate) (ester)

Registry Numbers

CAS Registry Number

  • 66941-37-5

System Generated Number

  • 0066941375

Molecular Formulas

Molecular Formula

  • C15-H24-N3-O4.Br

Molecular Formula Fragments

  • Br
  • C15-H24-N3-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H24N3O4.BrH/c1-16(2)14(19)21-12-8-11(18(5,6)7)9-13(10-12)22-15(20)17(3)4;/h8-10H,1-7H3;1H/q+1;/p-1

InChIKey

VHFDMRCMOKLCJR-UHFFFAOYSA-M

Smiles

[N+](c1cc(OC(N(C)C)=O)cc(c1)OC(N(C)C)=O)(C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1280ug/kg (1.28mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 295, 1956.