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Substance Name: 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)
RN: 114431-30-0
InChIKey: ZXQRRHDIIXTSBZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N-S.C4-H4-O4

Molecular Weight

  • 411.5195
 
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Names and Synonyms

  • 6,12-Methano-12H-dibenzo(b,f)thiocin-12-methanamine, 6,11-dihydro-N,N-dimethyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 114431-30-0

System Generated Number

  • 0114431300

Molecular Formulas

Molecular Formula

  • C19-H21-N-S.C4-H4-O4

Molecular Formula Fragments

  • C19-H21-N-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21NS.C4H4O4/c1-20(2)13-19-11-14-7-3-4-8-15(14)18(12-19)21-17-10-6-5-9-16(17)19;5-3(6)1-2-4(7)8/h3-10,18H,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

ZXQRRHDIIXTSBZ-WLHGVMLRSA-N

Smiles

CN(C)CC12Cc3ccccc3C(C1)Sc4c2cccc4.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 258mg/kg (258mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 52, Pg. 2281, 1987.