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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-ethyldibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:2)
RN: 54997-53-4
InChIKey: AAARDPHGCHHGBA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O-S.2C-H4-O3-S.2H2-O

Molecular Weight

  • 574.7802
 
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Names and Synonyms

Synonym

  • 4-(10,11-Dihydro-8-ethyldibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol methanesulfonate H2O

Systematic Name

  • 1-Piperazinepropanol, 4-(10,11-dihydro-8-ethyldibenzo(b,f)thiepin-10-yl)-, methanesulfonate, hydrate (1:2:2)

Registry Numbers

CAS Registry Number

  • 54997-53-4

System Generated Number

  • 0054997534

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O-S.2C-H4-O3-S.2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C23-H30-N2-O-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H30N2OS.2CH4O3S/c1-2-18-8-9-23-20(16-18)21(17-19-6-3-4-7-22(19)27-23)25-13-11-24(12-14-25)10-5-15-26;2*1-5(2,3)4/h3-4,6-9,16,21,26H,2,5,10-15,17H2,1H3;2*1H3,(H,2,3,4)

InChIKey

AAARDPHGCHHGBA-UHFFFAOYSA-N

Smiles

CCc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCCO.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 75mg/kg (75mg/kg) BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 783, 1974.