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Substance Name: Urea, 3-(1-cyclohexyl-3-pyrrolidinyl)-1,1-diphenyl-, fumarate (1:1)
RN: 20070-52-4
InChIKey: YXWXWVNAKPDSDJ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O.C4-H4-O4

Molecular Weight

  • 479.574
 
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Names and Synonyms

Synonym

  • 3-(1-Cyclohexyl-3-pyrrolidinyl)-1,1-diphenyl-urea fumarate

Systematic Name

  • Urea, 3-(1-cyclohexyl-3-pyrrolidinyl)-1,1-diphenyl-, fumarate (1:1)

Registry Numbers

CAS Registry Number

  • 20070-52-4

System Generated Number

  • 0020070524

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O.C4-H4-O4

Molecular Formula Fragments

  • C23-H29-N3-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H29N3O.C4H4O4/c27-23(24-19-16-17-25(18-19)20-10-4-1-5-11-20)26(21-12-6-2-7-13-21)22-14-8-3-9-15-22;5-3(6)1-2-4(7)8/h2-3,6-9,12-15,19-20H,1,4-5,10-11,16-18H2,(H,24,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YXWXWVNAKPDSDJ-WLHGVMLRSA-N

Smiles

N(c1ccccc1)(C(=O)N[C@@H]1C[N@@](CC1)C1CCCCC1)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.