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Substance Name: 2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
RN: 124939-78-2
InChIKey: XOMOMXPVBKHLFZ-HVENRQQKSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-S2.I

Molecular Weight

  • 440.4069
 
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Names and Synonyms

  • 2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-, iodide
  • 2H-Thiopyranium, 4-(9,10-dihydro-4H-benzo(4,5)cyclohepta(1,2-b)thien-4-ylidene)tetrahydro-1-methyl-,iodide

Registry Numbers

CAS Registry Number

  • 124939-78-2

System Generated Number

  • 0124939782

Molecular Formulas

Molecular Formula

  • C19-H21-S2.I

Molecular Formula Fragments

  • C19-H21-S2
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C19H21S2.HI/c1-21-12-9-15(10-13-21)19-16-5-3-2-4-14(16)6-7-18-17(19)8-11-20-18;/h2-5,8,11H,6-7,9-10,12-13H2,1H3;1H/q+1;/p-1/b19-15-;

InChIKey

XOMOMXPVBKHLFZ-HVENRQQKSA-M

Smiles

C[S+]1CCC(=C2c3ccccc3CCc4c2ccs4)CC1.[I-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Collection of Czechoslovak Chemical Communications. Vol. 54, Pg. 2443, 1989.