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Substance Name: 2(3H)-Oxazolone, 5-(2-(diethylamino)ethyl)-4-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)
RN: 52867-78-4
InChIKey: JMQQUWXGUWTVIF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H19-F-N2-O2.C4-H4-O4

Molecular Weight

  • 394.3967
 
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Names and Synonyms

Synonyms

  • 5-(2-(Diethylamino)ethyl)-4-(4-fluorophenyl)-2(3H)-oxazolone (Z)-2-butenedioate (1:1)
  • LR 534

Systematic Name

  • 2(3H)-Oxazolone, 5-(2-(diethylamino)ethyl)-4-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 52867-78-4

System Generated Number

  • 0052867784

Molecular Formulas

Molecular Formula

  • C15-H19-F-N2-O2.C4-H4-O4

Molecular Formula Fragments

  • C15-H19-F-N2-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C15H19FN2O2.C4H4O4/c1-3-18(4-2)10-9-13-14(17-15(19)20-13)11-5-7-12(16)8-6-11;5-3(6)1-2-4(7)8/h5-8H,3-4,9-10H2,1-2H3,(H,17,19);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

JMQQUWXGUWTVIF-WLHGVMLRSA-N

Smiles

CCN(CC)CCc1c([nH]c(=O)o1)c2ccc(cc2)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 182mg/kg (182mg/kg)   Drugs of the Future. Vol. 1, Pg. 424, 1976.