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Substance Name: 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide
RN: 31007-55-3
InChIKey: GIOKSNLMSYGZIQ-UHFFFAOYSA-M

Molecular Formula

  • C10-H20-N-S2.I

Molecular Weight

  • 345.307
 
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Names and Synonyms

Synonyms

  • 1-(1,2-Dithiolan-4-yl)-1-methylhexahydro-1H-azepinium iodide
  • 1H-Azepine, hexahydro-1-(1,2-dithiolan-4-yl)-, methiodide
  • 4-Hexamethyleneimino-1,2-dithiolane methiodide

Systematic Name

  • 1H-Azepinium, hexahydro-1-(1,2-dithiolan-4-yl)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 31007-55-3

System Generated Number

  • 0031007553

Molecular Formulas

Molecular Formula

  • C10-H20-N-S2.I

Molecular Formula Fragments

  • C10-H20-N-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C10H20NS2.HI/c1-11(10-8-12-13-9-10)6-4-2-3-5-7-11;/h10H,2-9H2,1H3;1H/q+1;/p-1

InChIKey

GIOKSNLMSYGZIQ-UHFFFAOYSA-M

Smiles

C1([N+]2(CCCCCC2)C)CSSC1.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 8900ug/kg (8.9mg/kg) BEHAVIORAL: TREMOR

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Chimica Therapeutica. Vol. 5, Pg. 261, 1970.