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Substance Name: Pyrrolidine, 1-(2-((2,2-dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)-, ethanedioate (2:1)
RN: 60796-44-3
InChIKey: HJUWRUIXLZYIJH-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H33-N-O2.1/2C2-H2-O4

Molecular Weight

  • 777.0492
 
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Names and Synonyms

Synonyms

  • 1-(2-((2,2-Dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)pyrrolidine ethanedioate (2:1)
  • 5-(2-Pyrrolidinoethoxy)-2,2-dimethyl-7-n-pentylchromene oxalate

Systematic Name

  • Pyrrolidine, 1-(2-((2,2-dimethyl-7-pentyl-2H-1-benzopyran-5-yl)oxy)ethyl)-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 60796-44-3

System Generated Number

  • 0060796443

Molecular Formulas

Molecular Formula

  • C22-H33-N-O2.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C22-H33-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/2C22H33NO2.C2H2O4/c2*1-4-5-6-9-18-16-20(24-15-14-23-12-7-8-13-23)19-10-11-22(2,3)25-21(19)17-18;3-1(4)2(5)6/h2*10-11,16-17H,4-9,12-15H2,1-3H3;(H,3,4)(H,5,6)

InChIKey

HJUWRUIXLZYIJH-UHFFFAOYSA-N

Smiles

CCCCCc1cc2c(c(c1)OCCN3CCCC3)C=CC(O2)(C)C.CCCCCc1cc2c(c(c1)OCCN3CCCC3)C=CC(O2)(C)C.C(=O)(C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 14, Pg. 449, 1976.