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Substance Name: Carbamic acid, dimethyl-, 2-((heptylmethylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1)
RN: 169128-39-6
InChIKey: JMKRQHVGYJTIHL-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H29-N3-O2.C2-H2-O4

Molecular Weight

  • 397.4689
 
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Names and Synonyms

Synonyms

  • 2-((Heptylmethylamino)methyl)-3-pyridinyl dimethylcarbamate ethanedioate (1:1)
  • 3-Pyridinol, 2-((heptylmethylamino)methyl)-, dimethylcarbamate, oxalate

Systematic Name

  • Carbamic acid, dimethyl-, 2-((heptylmethylamino)methyl)-3-pyridinyl ester, ethanedioate (1:1)

Registry Numbers

CAS Registry Number

  • 169128-39-6

System Generated Number

  • 0169128396

Molecular Formulas

Molecular Formula

  • C17-H29-N3-O2.C2-H2-O4

Molecular Formula Fragments

  • C17-H29-N3-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C17H29N3O2.C2H2O4/c1-5-6-7-8-9-13-20(4)14-15-16(11-10-12-18-15)22-17(21)19(2)3;3-1(4)2(5)6/h10-12H,5-9,13-14H2,1-4H3;(H,3,4)(H,5,6)

InChIKey

JMKRQHVGYJTIHL-UHFFFAOYSA-N

Smiles

CCCCCCCN(C)Cc1c(cccn1)OC(=O)N(C)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1030ug/kg (1.03mg/kg)   Zhurnal Prikladnoi Khimii Vol. 67, Pg. 2017, 1994.