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Substance Name: 2H-Thiopyranium, 4-(dibenzo(b,e)thiepin-11(6H)-ylidene)-tetrahydro-1-methyl-, iodide (9CI)
RN: 116196-99-7
InChIKey: KWUUXWRSTZNCIU-CRDKNBMZSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-S2.I

Molecular Weight

  • 452.4179
 
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Names and Synonyms

Synonyms

  • 4-(6,11-Dihydrodibenzo(b,e)thiepin-11-ylidene)-1-methyltetrahydrothiopyranium iodide
  • Tetrahydro-4-(6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)-1-methyl-2H-thiopyranium iodide

Systematic Names

  • 2H-Thiopyranium, 4-(dibenzo(b,e)thiepin-11(6H)-ylidene)-tetrahydro-1-methyl-, iodide (9CI)
  • 2H-Thiopyranium, tetrahydro-4-(6,11-dihydrodibenzo(b,e)thiepin-11-ylidene)-1-methyl-, iodide

Registry Numbers

CAS Registry Number

  • 116196-99-7

System Generated Number

  • 0116196997

Molecular Formulas

Molecular Formula

  • C20-H21-S2.I

Molecular Formula Fragments

  • C20-H21-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C20H21S2.HI/c1-22-12-10-15(11-13-22)20-17-7-3-2-6-16(17)14-21-19-9-5-4-8-18(19)20;/h2-9H,10-14H2,1H3;1H/q+1;/p-1/b20-15-;

InChIKey

KWUUXWRSTZNCIU-CRDKNBMZSA-M

Smiles

[I-].C[S+]1CCC(=C2c3ccccc3CSc4ccccc24)CC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2758, 1987.