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Substance Name: Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide
RN: 23966-69-0
InChIKey: AOQRGHOMWDKWEI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H25-N-O4.C-H3-I

Molecular Weight

  • 437.311
 
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Names and Synonyms

Synonym

  • 2-Butoxy-3-methoxybenzoic acid methyliodide, 2-(dimethylamino)ethyl ester

Systematic Name

  • Benzoic acid, 2-butoxy-3-methoxy-, 2-(dimethylamino)ethyl ester, methyliodide

Registry Numbers

CAS Registry Number

  • 23966-69-0

System Generated Number

  • 0023966690

Molecular Formulas

Molecular Formula

  • C16-H25-N-O4.C-H3-I

Molecular Formula Fragments

  • C-H3-I
  • C16-H25-N-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H25NO4.CH3I/c1-5-6-11-20-15-13(8-7-9-14(15)19-4)16(18)21-12-10-17(2)3;1-2/h7-9H,5-6,10-12H2,1-4H3;1H3

InChIKey

AOQRGHOMWDKWEI-UHFFFAOYSA-N

Smiles

c1(c(C(OCCN(C)C)=O)cccc1OC)OCCCC.CI

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 870, 1969.