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Substance Name: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 3-ethyl-5-(4-fluorophenyl)-, (Z)-2-butenedioate (1:1)
RN: 84523-14-8
InChIKey: CXOQXOMVLCTOKU-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H16-F-N-O2.C4-H4-O4

Molecular Weight

  • 353.344
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 84523-14-8

System Generated Number

  • 0084523148

Molecular Formulas

Molecular Formula

  • C13-H16-F-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C13-H16-F-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C13H16FNO2.C4H4O4/c1-2-15-7-12-8-16-13(9-15,17-12)10-3-5-11(14)6-4-10;5-3(6)1-2-4(7)8/h3-6,12H,2,7-9H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CXOQXOMVLCTOKU-WLHGVMLRSA-N

Smiles

CCN1CC2COC(C1)(O2)c3ccc(cc3)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 280mg/kg (280mg/kg)   United States Patent Document. Vol. #4463004,