Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Benzeneethanamine, N-(4-((1,3-benzodioxol-5-yloxy)methyl)-1-methyl-2-pyrrolidinylidene)-3,4-dimethoxy-, phosphate (1:1)
RN: 94221-37-1
InChIKey: NOZAVNONYJFCAY-XMXXDQCKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H28-N2-O5.H3-O4-P

Molecular Weight

  • 510.4769
 
* 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

  • Benzeneethanamine, N-(4-((1,3-benzodioxol-5-yloxy)methyl)-1-methyl-2-pyrrolidinylidene)-3,4-dimethoxy-, phosphate (1:1)

Registry Numbers

CAS Registry Number

  • 94221-37-1

System Generated Number

  • 0094221371

Molecular Formulas

Molecular Formula

  • C23-H28-N2-O5.H3-O4-P

Molecular Formula Fragments

  • C23-H28-N2-O5
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C23H28N2O5.H3O4P/c1-25-13-17(14-28-18-5-7-20-22(12-18)30-15-29-20)11-23(25)24-9-8-16-4-6-19(26-2)21(10-16)27-3;1-5(2,3)4/h4-7,10,12,17H,8-9,11,13-15H2,1-3H3;(H3,1,2,3,4)/b24-23+;

InChIKey

NOZAVNONYJFCAY-XMXXDQCKSA-N

Smiles

C1(=N\CCc2cc(c(cc2)OC)OC)/N(CC(C1)COc1cc2c(OCO2)cc1)C.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4556674,
mouse LDLo intraperitoneal 100mg/kg (100mg/kg)   United States Patent Document. Vol. #4556674,