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Substance Name: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)
RN: 84508-77-0
InChIKey: FIBRRJHQMDJJQB-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H12-F-N-O2.C4-H4-O4

Molecular Weight

  • 325.2904
 
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Names and Synonyms

Synonyms

  • 5-(4-Fluorophenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane (Z)-2-butenedioate (1:1)
  • 5-(p-Fluorophenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane maleate

Systematic Name

  • 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84508-77-0

System Generated Number

  • 0084508770

Molecular Formulas

Molecular Formula

  • C11-H12-F-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C11-H12-F-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C11H12FNO2.C4H4O4/c12-9-3-1-8(2-4-9)11-7-13-5-10(15-11)6-14-11;5-3(6)1-2-4(7)8/h1-4,10,13H,5-7H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

FIBRRJHQMDJJQB-WLHGVMLRSA-N

Smiles

c1cc(ccc1C23CNCC(O2)CO3)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 300mg/kg (300mg/kg)   United States Patent Document. Vol. #4463004,