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Substance Name: Emeline
RN: 102207-58-9
InChIKey: ISWGLGLPSQCQIO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H27-N3

Molecular Weight

  • 333.4763
 
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Names and Synonyms

Results Name

  • Emeline

Synonyms

  • 2,3,4,5-Tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-1H-pyrido(4,3-b)indole
  • Emelin
  • Emeline

Systematic Name

  • 1H-Pyrido(4,3-b)indole, 2,3,4,5-tetrahydro-2-ethyl-8-methyl-5-(2-(6-methyl-3-pyridyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 102207-58-9

System Generated Number

  • 0102207589

Structure Descriptors

InChI

1S/C22H27N3/c1-4-24-11-10-22-20(15-24)19-13-16(2)5-8-21(19)25(22)12-9-18-7-6-17(3)23-14-18/h5-8,13-14H,4,9-12,15H2,1-3H3

InChIKey

ISWGLGLPSQCQIO-UHFFFAOYSA-N

Smiles

CCN1CCc2c(c3cc(ccc3n2CCc4ccc(nc4)C)C)C1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 162mg/kg (162mg/kg)   Russian Pharmacology and Toxicology Vol. 31, Pg. 105, 1968.