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Substance Name: Dibenzo(b,e)thiepin-3-propanamine, 6,11-dihydro-N,N-dimethyl-11-phenyl-, (Z)-2-butenedioate (1:1)
RN: 84964-58-9
InChIKey: TZEDOPLSWQRVIT-BTJKTKAUSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H27-N-S.C4-H4-O4

Molecular Weight

  • 489.6329
 
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Names and Synonyms

Synonym

  • 3-(3-Dimethylaminopropyl)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin hydrogen maleate

Systematic Name

  • Dibenzo(b,e)thiepin-3-propanamine, 6,11-dihydro-N,N-dimethyl-11-phenyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 84964-58-9

System Generated Number

  • 0084964589

Molecular Formulas

Molecular Formula

  • C25-H27-N-S.C4-H4-O4

Molecular Formula Fragments

  • C25-H27-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C25H27NS.C4H4O4/c1-26(2)16-8-9-19-14-15-23-24(17-19)27-18-21-12-6-7-13-22(21)25(23)20-10-4-3-5-11-20;5-3(6)1-2-4(7)8/h3-7,10-15,17,25H,8-9,16,18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

TZEDOPLSWQRVIT-BTJKTKAUSA-N

Smiles

C[NH+](C)CCCc1ccc2C(c3ccccc3)c4ccccc4CSc2c1.OC(=O)\C=C/C(=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 47, Pg. 3094, 1982.