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Substance Name: 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole
RN: 54921-44-7
UNII: 50SBH18JO5
InChIKey: TVPVFCFPZXJBGP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H12-N-S2

Molecular Weight

  • 235.3737
 
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Names and Synonyms

Name of Substance

  • 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole

Synonyms

  • 3-(2-Methyl-1,3-dithiolan-2-yl)indole
  • UNII-50SBH18JO5

Systematic Name

  • Indole, 3-(2-methyl-1,3-dithiolan-2-yl)-

Registry Numbers

CAS Registry Number

  • 54921-44-7

FDA UNII

  • 50SBH18JO5

System Generated Number

  • 0054921447

Structure Descriptors

InChI

1S/C12H13NS2/c1-12(14-6-7-15-12)10-8-13-11-5-3-2-4-9(10)11/h2-5,8,13H,6-7H2,1H3

InChIKey

TVPVFCFPZXJBGP-UHFFFAOYSA-N

Smiles

CC1(SCCS1)c2c[nH]c3c2cccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.