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Substance Name: 1,3-Dithiolane-4-methanol, 2-(1-methylbutyl)-
RN: 83521-77-1
InChIKey: DIHLVCHMEZLKHC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H18-O-S2

Molecular Weight

  • 206.372
 
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Names and Synonyms

Synonyms

  • 2-(1-Methylbutyl)-1,3-dithiolane-4-methanol
  • BRN 5493119

Systematic Name

  • 1,3-Dithiolane-4-methanol, 2-(1-methylbutyl)-

Registry Numbers

CAS Registry Number

  • 83521-77-1

System Generated Number

  • 0083521771

Structure Descriptors

InChI

1S/C9H18OS2/c1-3-4-7(2)9-11-6-8(5-10)12-9/h7-10H,3-6H2,1-2H3

InChIKey

DIHLVCHMEZLKHC-UHFFFAOYSA-N

Smiles

S1[C@@H]([C@@H](CCC)C)SC[C@@H]1CO

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.