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Substance Name: Dibenzo(2,3:6,7)thiepino(4,5-b)pyridinium, 1,2,3,4,4a,13b-hexahydro-12-chloro-1,1-dimethyl-, chloride, hydrate
RN: 62675-04-1
InChIKey: DNDLACKWEBLFEP-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-Cl-N-S.Cl.H2-O

Molecular Weight

  • 366.3539
 
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Names and Synonyms

  • Dibenzo(2,3:6,7)thiepino(4,5-b)pyridinium, 1,2,3,4,4a,13b-hexahydro-12-chloro-1,1-dimethyl-, chloride, hydrate

Registry Numbers

CAS Registry Number

  • 62675-04-1

System Generated Number

  • 0062675041

Molecular Formulas

Molecular Formula

  • C19-H21-Cl-N-S.Cl.H2-O

Molecular Formula Fragments

  • C19-H21-Cl-N-S
  • Cl
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C19H21ClNS.ClH/c1-21(2)11-5-7-15-14-6-3-4-8-17(14)22-18-10-9-13(20)12-16(18)19(15)21;/h3-4,6,8-10,12,15,19H,5,7,11H2,1-2H3;1H/q+1;/p-1

InChIKey

DNDLACKWEBLFEP-UHFFFAOYSA-M

Smiles

C[N+]1(CCCC2C1c3cc(ccc3Sc4c2cccc4)Cl)C.[Cl-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 6250ug/kg (6.25mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 3420, 1976.