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Substance Name: Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-8-chloro-N-methyl-N-2-propynyl-, (Z)-2-butenedioate (1:1)
RN: 69195-59-1
InChIKey: CPHFJYTUNFXNBV-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-Cl-N-S.C4-H4-O4

Molecular Weight

  • 429.922
 
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Names and Synonyms

Synonyms

  • 8-Chloro-10-(N-methylpropargylamino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • VUFB-10542

Systematic Name

  • Dibenzo(b,f)thiepin-10-amine, 10,11-dihydro-8-chloro-N-methyl-N-2-propynyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 69195-59-1

System Generated Number

  • 0069195591

Molecular Formulas

Molecular Formula

  • C18-H16-Cl-N-S.C4-H4-O4

Molecular Formula Fragments

  • C18-H16-Cl-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C18H16ClNS.C4H4O4/c1-3-10-20(2)16-11-13-6-4-5-7-17(13)21-18-9-8-14(19)12-15(16)18;5-3(6)1-2-4(7)8/h1,4-9,12,16H,10-11H2,2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

CPHFJYTUNFXNBV-WLHGVMLRSA-N

Smiles

CN(CC#C)C1Cc2ccccc2Sc3c1cc(cc3)Cl.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 2500mg/kg (2500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 42, Pg. 2427, 1978.