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Substance Name: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(2-methoxyphenyl)-, (Z)-2-butenedioate (1:1)
RN: 84509-05-7
InChIKey: YYWZBLDGCWRZPM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N-O3.C4-H4-O4

Molecular Weight

  • 337.3261
 
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Names and Synonyms

Synonym

  • 5-(2-Methoxyphenyl)-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, 5-(2-methoxyphenyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84509-05-7

System Generated Number

  • 0084509057

Molecular Formulas

Molecular Formula

  • C12-H15-N-O3.C4-H4-O4

Molecular Formula Fragments

  • C12-H15-N-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C12H15NO3.C4H4O4/c1-14-11-5-3-2-4-10(11)12-8-13-6-9(16-12)7-15-12;5-3(6)1-2-4(7)8/h2-5,9,13H,6-8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

YYWZBLDGCWRZPM-WLHGVMLRSA-N

Smiles

COc1ccccc1C23CNCC(O2)CO3.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,