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Substance Name: Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)
RN: 23258-72-2
InChIKey: HWVHTIKEYKGOOT-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N2-O.C4-H4-O4

Molecular Weight

  • 334.37
 
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Names and Synonyms

Synonym

  • N-(1-Methyl-3-pyrrolidinyl)acetanilide fumarate (1:1)

Systematic Name

  • Acetanilide, N-(1-methyl-3-pyrrolidinyl)-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 23258-72-2

System Generated Number

  • 0023258722

Molecular Formulas

Molecular Formula

  • C13-H18-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C13-H18-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H18N2O.C4H4O4/c1-11(16)15(12-6-4-3-5-7-12)13-8-9-14(2)10-13;5-3(6)1-2-4(7)8/h3-7,13H,8-10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

HWVHTIKEYKGOOT-WLHGVMLRSA-N

Smiles

N([C@@H]1C[N@@H+](C)CC1)(c1ccccc1)C(C)=O.C(=C\C(=O)[O-])\C(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 320mg/kg (320mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 583, 1969.