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Substance Name: Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate
RN: 121943-09-7
InChIKey: DPCBQWSWEZMVAF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H30-N2-S.2C-H4-O3-S

Molecular Weight

  • 654.8692
 
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Names and Synonyms

Synonym

  • 1-(10,11-Dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)piperazine dimethanesulfonate

Systematic Name

  • Piperazine, 1-(10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-(diphenylmethyl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 121943-09-7

System Generated Number

  • 0121943097

Molecular Formulas

Molecular Formula

  • C31-H30-N2-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C31-H30-N2-S
  • COMPONENT

Structure Descriptors

InChI

1S/C31H30N2S.2CH4O3S/c1-3-11-24(12-4-1)31(25-13-5-2-6-14-25)33-21-19-32(20-22-33)28-23-26-15-7-9-17-29(26)34-30-18-10-8-16-27(28)30;2*1-5(2,3)4/h1-18,28,31H,19-23H2;2*1H3,(H,2,3,4)

InChIKey

DPCBQWSWEZMVAF-UHFFFAOYSA-N

Smiles

CS(=O)(=O)O.CS(=O)(=O)O.c1ccc(cc1)C(c2ccccc2)N3CCN(CC3)C4Cc5ccccc5Sc6c4cccc6

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 53, Pg. 870, 1988.