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Substance Name: Ammonium, (2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzyl)trimethyl-, bromide, dimethylcarbamate (ester)
RN: 66967-98-4
InChIKey: RMBDGXHKVAUITG-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H37-N2-O2.Br

Molecular Weight

  • 429.439
 
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Names and Synonyms

Synonym

  • Ro 2-1898

Systematic Name

  • Ammonium, (2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzyl)trimethyl-, bromide, dimethylcarbamate (ester)

Registry Numbers

CAS Registry Number

  • 66967-98-4

System Generated Number

  • 0066967984

Molecular Formulas

Molecular Formula

  • C21-H37-N2-O2.Br

Molecular Formula Fragments

  • Br
  • C21-H37-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H37N2O2.BrH/c1-20(2,3)15-21(4,5)17-11-12-18(25-19(24)22(6)7)16(13-17)14-23(8,9)10;/h11-13H,14-15H2,1-10H3;1H/q+1;/p-1

InChIKey

RMBDGXHKVAUITG-UHFFFAOYSA-M

Smiles

c1(c(ccc(c1)C(CC(C)(C)C)(C)C)OC(N(C)C)=O)C[N+](C)(C)C.[BrH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 1600ug/kg (1.6mg/kg)   Medicinal Chemistry, A Series of Reviews. Vol. 3, Pg. 305, 1956.