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Substance Name: Urea, 3-butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)
RN: 20070-54-6
InChIKey: TXVCCEFHDJFHHF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H29-N3-O.C4-H4-O4

Molecular Weight

  • 419.519
 
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Names and Synonyms

Synonym

  • 3-Butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-urea fumarate

Systematic Name

  • Urea, 3-butyl-1-(1-isopropyl-3-pyrrolidinyl)-1-phenyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 20070-54-6

System Generated Number

  • 0020070546

Molecular Formulas

Molecular Formula

  • C18-H29-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C18-H29-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H29N3O.C4H4O4/c1-4-5-12-19-18(22)21(16-9-7-6-8-10-16)17-11-13-20(14-17)15(2)3;5-3(6)1-2-4(7)8/h6-10,15,17H,4-5,11-14H2,1-3H3,(H,19,22);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TXVCCEFHDJFHHF-WLHGVMLRSA-N

Smiles

N([C@@H]1CC[N@@](C(C)C)C1)(C(=O)NCCCC)c1ccccc1.C(\C=C\C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Journal of Medicinal Chemistry. Vol. 11, Pg. 1034, 1968.