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Substance Name: 1H-Azepine, hexahydro-4-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-1-methyl-, maleate (1:1)
ID: CM31857500
InChIKey: DUFGAAQGVXGVIW-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O-S.C4-H4-O4

Molecular Weight

  • 455.5721
 
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Names and Synonyms

Synonyms

  • 11-(1-Methylperhydroazepin-4-yloxy)-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate
  • Hexahydro-4-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-1-methyl-1H-azepine maleate

Systematic Name

  • 1H-Azepine, hexahydro-4-((6,11-dihydrodibenzo(b,e)thiepin-11-yl)oxy)-1-methyl-, maleate (1:1)

Registry Numbers

ID Number

  • NIOSH/CM3185750

System Generated Number

  • CM31857500

Molecular Formulas

Molecular Formula

  • C21-H25-N-O-S.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-N-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25NOS.C4H4O4/c1-22-13-6-8-17(12-14-22)23-21-18-9-3-2-7-16(18)15-24-20-11-5-4-10-19(20)21;5-3(6)1-2-4(7)8/h2-5,7,9-11,17,21H,6,8,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

DUFGAAQGVXGVIW-BTJKTKAUSA-N

Smiles

CN1CCCC(CC1)OC2c3ccccc3CSc4ccccc24.OC(=O)\C=C/C(=O)O