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Substance Name: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-(2-thienyl)-, (Z)-2-butenedioate (1:1)
RN: 84508-93-0
InChIKey: INCGPSFDWSRLAK-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H11-N-O2-S.C4-H4-O4

Molecular Weight

  • 313.3285
 
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Names and Synonyms

Synonym

  • 5-(2-Thienyl)-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-thienyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84508-93-0

System Generated Number

  • 0084508930

Molecular Formulas

Molecular Formula

  • C9-H11-N-O2-S.C4-H4-O4

Molecular Formula Fragments

  • C4-H4-O4
  • C9-H11-N-O2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C9H11NO2S.C4H4O4/c1-2-8(13-3-1)9-6-10-4-7(12-9)5-11-9;5-3(6)1-2-4(7)8/h1-3,7,10H,4-6H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

INCGPSFDWSRLAK-WLHGVMLRSA-N

Smiles

c1cc(sc1)C23CNCC(O2)CO3.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 400mg/kg (400mg/kg)   United States Patent Document. Vol. #4463004,