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Substance Name: m-Propionotoluidide, N-(1-ethyl-3-pyrrolidinyl)-alpha,alpha,alpha-trifluoro-, fumarate (1:1)
RN: 23258-75-5
InChIKey: YTGBFJMSXRFFCV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H21-F3-N2-O.C4-H4-O4

Molecular Weight

  • 430.421
 
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Names and Synonyms

Synonym

  • N-(1-Ethyl-3-pyrrolidinyl)-alpha,alpha,alpha-trifluoro-m-propionotoluidide fumarate (1:1)

Systematic Name

  • m-Propionotoluidide, N-(1-ethyl-3-pyrrolidinyl)-alpha,alpha,alpha-trifluoro-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 23258-75-5

System Generated Number

  • 0023258755

Molecular Formulas

Molecular Formula

  • C16-H21-F3-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C16-H21-F3-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C16H21F3N2O.C4H4O4/c1-4-20-9-8-13(10-20)21(15(22)16(17,18)19)14-7-5-6-11(2)12(14)3;5-3(6)1-2-4(7)8/h5-7,13H,4,8-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YTGBFJMSXRFFCV-WLHGVMLRSA-N

Smiles

C(C(F)(F)F)(=O)N([C@@H]1C[N@@](CC1)CC)c1c(C)c(ccc1)C.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 160mg/kg (160mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 583, 1969.