Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 6,8-Dioxa-3-azabicyclo(3.2.1)octane, 5-cyclohexyl-3-(phenylmethyl)-, (Z)-2-butenedioate (1:1)
RN: 84509-24-0
InChIKey: TXLSMKZMMURDHF-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H25-N-O2.C4-H4-O4

Molecular Weight

  • 403.4721
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • 5-Cyclohexyl-3-(phenylmethyl)-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-cyclohexyl-3-(phenylmethyl)-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84509-24-0

System Generated Number

  • 0084509240

Molecular Formulas

Molecular Formula

  • C18-H25-N-O2.C4-H4-O4

Molecular Formula Fragments

  • C18-H25-N-O2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H25NO2.C4H4O4/c1-3-7-15(8-4-1)11-19-12-17-13-20-18(14-19,21-17)16-9-5-2-6-10-16;5-3(6)1-2-4(7)8/h1,3-4,7-8,16-17H,2,5-6,9-14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

TXLSMKZMMURDHF-WLHGVMLRSA-N

Smiles

c1ccc(cc1)CN2CC3COC(C2)(O3)C4CCCCC4.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,