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Substance Name: Pyrrolidine, 1-(4-(p-fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-, maleate (1:1)
RN: 31791-46-5
InChIKey: YUJIZQRKZATAAO-GADRIJQISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-F-N-O2.C4-H4-O4

Molecular Weight

  • 457.495
 
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Names and Synonyms

Synonym

  • 1-(4-(p-Fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-pyrrolidine maleate (1:1)

Systematic Name

  • Pyrrolidine, 1-(4-(p-fluorophenyl)-3-butenyl)-3-(o-methoxyphenoxy)-, maleate (1:1)

Registry Numbers

CAS Registry Number

  • 31791-46-5

System Generated Number

  • 0031791465

Molecular Formulas

Molecular Formula

  • C21-H24-F-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C21-H24-F-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H24FNO2.C4H4O4/c1-24-20-7-2-3-8-21(20)25-19-13-15-23(16-19)14-5-4-6-17-9-11-18(22)12-10-17;5-3(6)1-2-4(7)8/h2-4,6-12,19H,5,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b6-4+;2-1-

InChIKey

YUJIZQRKZATAAO-GADRIJQISA-N

Smiles

C1[N@@](CC\C=C\c2ccc(cc2)F)CC[C@@H]1Oc1c(OC)cccc1.C(\C=C/C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BRAIN AND COVERINGS: RECORDINGS FROM SPECIFIC AREAS OF CNS
Journal of Medicinal Chemistry. Vol. 12, Pg. 442, 1969.