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Substance Name: Benzeneethanamine, N-(4-((2-ethylphenoxy)methyl)-1-methyl-2-pyrrolidinylidene)-3,4-dimethoxy-,phosphate (1:1)
RN: 94221-39-3
InChIKey: HGHMNCOAWVCENM-QREUMGABSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C24-H32-N2-O3.H3-O4-P

Molecular Weight

  • 494.5215
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 94221-39-3

System Generated Number

  • 0094221393

Molecular Formulas

Molecular Formula

  • C24-H32-N2-O3.H3-O4-P

Molecular Formula Fragments

  • C24-H32-N2-O3
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C24H32N2O3.H3O4P/c1-5-20-8-6-7-9-21(20)29-17-19-15-24(26(2)16-19)25-13-12-18-10-11-22(27-3)23(14-18)28-4;1-5(2,3)4/h6-11,14,19H,5,12-13,15-17H2,1-4H3;(H3,1,2,3,4)/b25-24+;

InChIKey

HGHMNCOAWVCENM-QREUMGABSA-N

Smiles

C1(=N\CCc2cc(c(cc2)OC)OC)/N(CC(C1)COc1c(CC)cccc1)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 33mg/kg (33mg/kg)   United States Patent Document. Vol. #4556674,