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Substance Name: 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate
RN: 34775-65-0
InChIKey: UKNSILPDRRFKCO-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-Cl-N2-O-S.2C-H4-O3-S

Molecular Weight

  • 581.172
 
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Names and Synonyms

Synonyms

  • 4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol dimethanesulfonate
  • Oxyclothepin dimethanesulfonate
  • VUFB8,387

Systematic Names

  • 1-Piperazinepropanal, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)
  • 1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate

Registry Numbers

CAS Registry Number

  • 34775-65-0

System Generated Number

  • 0034775650

Molecular Formulas

Molecular Formula

  • C21-H25-Cl-N2-O-S.2C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H25-Cl-N2-O-S
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25ClN2OS.2CH4O3S/c22-17-6-7-21-18(15-17)19(14-16-4-1-2-5-20(16)26-21)24-11-9-23(10-12-24)8-3-13-25;2*1-5(2,3)4/h1-2,4-7,15,19,25H,3,8-14H2;2*1H3,(H,2,3,4)

InChIKey

UKNSILPDRRFKCO-UHFFFAOYSA-N

Smiles

N1(CCN([C@@H]2c3c(Sc4ccccc4C2)ccc(c3)Cl)CC1)CCCO.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 73200ug/kg (73.2mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.
mouse LD50 oral 202mg/kg (202mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.