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Substance Name: Benzeneethanamine, 3,4-dimethoxy-N-(1-methyl-4-(phenoxymethyl)-2-pyrrolidinylidene)-, phosphate (1:1)
RN: 94222-01-2
InChIKey: WANIRCHXJXBOSK-PGCQSHBKSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H28-N2-O3.H3-O4-P

Molecular Weight

  • 466.4679
 
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Names and Synonyms

Synonym

  • 1-Methyl-4-phenoxymethyl-2-(3',4'-dimethoxyphenethylimino)pyrrolidine phosphate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94222-01-2

System Generated Number

  • 0094222012

Molecular Formulas

Molecular Formula

  • C22-H28-N2-O3.H3-O4-P

Molecular Formula Fragments

  • C22-H28-N2-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C22H28N2O3.H3O4P/c1-24-15-18(16-27-19-7-5-4-6-8-19)14-22(24)23-12-11-17-9-10-20(25-2)21(13-17)26-3;1-5(2,3)4/h4-10,13,18H,11-12,14-16H2,1-3H3;(H3,1,2,3,4)/b23-22+;

InChIKey

WANIRCHXJXBOSK-PGCQSHBKSA-N

Smiles

C1(=N\CCc2cc(c(cc2)OC)OC)/N(CC(C1)COc1ccccc1)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,