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Substance Name: 5H-Dibenz(b,f)azepine, 8-(ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-, fumarate
RN: 52963-28-7
InChIKey: UEKXZWXVFHQTIM-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N2-S.C4-H4-O4

Molecular Weight

  • 440.5612
 
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Names and Synonyms

Synonyms

  • 2-Aethylthio-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin fumarat
  • 2-Aethylthio-5-methyl-11-(beta-methylaminoaethyl)-(5H)-dibenzo(b,f)azepin fumarat [German]
  • 2-Ethylthio-5-methyl-11-(beta-methylaminoethyl)-(5H)-dibenzo(b,f)azepine fumarate
  • 5H-Dibenz(b,f)azepine-10-ethanamine, N,5-dimethyl-8-(ethylthio)-, (E)-2-butenedioate (1:1)
  • 8-(Ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-5H-dibenz(b,f)azepine fumarate

Systematic Name

  • 5H-Dibenz(b,f)azepine, 8-(ethylthio)-10-(2-(methylamino)ethyl)-5-methyl-, fumarate

Registry Numbers

CAS Registry Number

  • 52963-28-7

System Generated Number

  • 0052963287

Molecular Formulas

Molecular Formula

  • C20-H24-N2-S.C4-H4-O4

Molecular Formula Fragments

  • C20-H24-N2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H24N2S.C4H4O4/c1-4-23-17-9-10-20-18(14-17)15(11-12-21-2)13-16-7-5-6-8-19(16)22(20)3;5-3(6)1-2-4(7)8/h5-10,13-14,21H,4,11-12H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

UEKXZWXVFHQTIM-WLHGVMLRSA-N

Smiles

CCSc1ccc2c(c1)C(=Cc3ccccc3N2C)CCNC.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 371, 1982.