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Substance Name: 1-Piperazineethanol, 4-(10,11-dihydro-8-methoxydibenzo(b,f)thiepin-10-yl)-, methanesulfonate,hydrate (2:4:1)
RN: 61015-54-1
InChIKey: ZTZAERLUOJXDMD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H26-N2-O2-S.2C-H4-O3-S.1/2H2-O

Molecular Weight

  • 562.7256
 
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Names and Synonyms

Synonym

  • VUFB10,044

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 61015-54-1

System Generated Number

  • 0061015541

Molecular Formulas

Molecular Formula

  • C21-H26-N2-O2-S.2C-H4-O3-S.1/2H2-O

Molecular Formula Fragments

  • C-H4-O3-S
  • C21-H26-N2-O2-S
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C21H26N2O2S.2CH4O3S/c1-25-17-6-7-21-18(15-17)19(14-16-4-2-3-5-20(16)26-21)23-10-8-22(9-11-23)12-13-24;2*1-5(2,3)4/h2-7,15,19,24H,8-14H2,1H3;2*1H3,(H,2,3,4)

InChIKey

ZTZAERLUOJXDMD-UHFFFAOYSA-N

Smiles

COc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCO.CS(=O)(=O)O.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 58640ug/kg (58.64mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 41, Pg. 443, 1976.