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Substance Name: Pyrrolidine, 1-((10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)sulfonyl)-, methanesulfonate, hydrate (1:2:1)
RN: 51723-65-0
InChIKey: ZEBLNJYVYPPFAA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H29-N3-O2-S2.2C-H4-O3-S.H2-O

Molecular Weight

  • 635.8443
 
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Names and Synonyms

  • Pyrrolidine, 1-((10,11-dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-yl)sulfonyl)-, methanesulfonate, hydrate (1:2:1)

Registry Numbers

CAS Registry Number

  • 51723-65-0

System Generated Number

  • 0051723650

Molecular Formulas

Molecular Formula

  • C23-H29-N3-O2-S2.2C-H4-O3-S.H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H29-N3-O2-S2
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H29N3O2S2.2CH4O3S/c1-24-12-14-25(15-13-24)21-16-18-6-2-3-7-22(18)29-23-9-8-19(17-20(21)23)30(27,28)26-10-4-5-11-26;2*1-5(2,3)4/h2-3,6-9,17,21H,4-5,10-16H2,1H3;2*1H3,(H,2,3,4)

InChIKey

ZEBLNJYVYPPFAA-UHFFFAOYSA-N

Smiles

CN1CCN(CC1)C2Cc3ccccc3Sc4c2cc(cc4)S(=O)(=O)N5CCCC5.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42500ug/kg (42.5mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Collection of Czechoslovak Chemical Communications. Vol. 38, Pg. 2137, 1973.