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Substance Name: Ethanamine, 2-((2,2-dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-, ethanedioate (2:1)
RN: 60796-46-5
InChIKey: QHOKFMBCPGACQW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H31-N-O2.1/2C2-H2-O4

Molecular Weight

  • 407.504
 
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Names and Synonyms

Synonyms

  • 2-((2,2-Dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethylethanamine ethanedioate (2:1)
  • 7-(2'-Dimethylaminoethoxy)-2,2'-dimethyl-6-n-pentylchromene oxalate

Systematic Name

  • Ethanamine, 2-((2,2-dimethyl-6-pentyl-2H-1-benzopyran-7-yl)oxy)-N,N-dimethyl-, ethanedioate (2:1)

Registry Numbers

CAS Registry Number

  • 60796-46-5

System Generated Number

  • 0060796465

Molecular Formulas

Molecular Formula

  • C20-H31-N-O2.1/2C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C20-H31-N-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C20H31NO2.C2H2O4/c1-6-7-8-9-16-14-17-10-11-20(2,3)23-19(17)15-18(16)22-13-12-21(4)5;3-1(4)2(5)6/h10-11,14-15H,6-9,12-13H2,1-5H3;(H,3,4)(H,5,6)

InChIKey

QHOKFMBCPGACQW-UHFFFAOYSA-N

Smiles

c12c(cc(CCCCC)c(OCC[NH+](C)C)c1)C=CC(C)(C)O2.C(C(=O)[O-])(O)=O

Toxicity

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