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Substance Name: Pyrrolidine, 1-((1-(2-benzylphenoxy)methyl)ethyl)-, hydrogen phosphate
RN: 10429-40-0
InChIKey: WZUVRCFJTOHRFW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H25-N-O.H3-O4-P

Molecular Weight

  • 393.417
 
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Names and Synonyms

Synonym

  • 1-((1-(2-Benzylphenoxy)methyl)ethyl)pyrrolidine hydrogen phosphate

Systematic Name

  • Pyrrolidine, 1-((1-(2-benzylphenoxy)methyl)ethyl)-, hydrogen phosphate

Registry Numbers

CAS Registry Number

  • 10429-40-0

System Generated Number

  • 0010429400

Molecular Formulas

Molecular Formula

  • C20-H25-N-O.H3-O4-P

Molecular Formula Fragments

  • C20-H25-N-O
  • COMPONENT
  • H3-O4-P

Structure Descriptors

InChI

1S/C20H25NO.H3O4P/c1-17(21-13-7-8-14-21)16-22-20-12-6-5-11-19(20)15-18-9-3-2-4-10-18;1-5(2,3)4/h2-6,9-12,17H,7-8,13-16H2,1H3;(H3,1,2,3,4)

InChIKey

WZUVRCFJTOHRFW-UHFFFAOYSA-N

Smiles

N1([C@@H](C)COc2c(cccc2)Cc2ccccc2)CCCC1.P(=O)(O)(O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 132mg/kg (132mg/kg)   Journal of Medicinal Chemistry. Vol. 9, Pg. 804, 1966.