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Substance Name: 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate
RN: 56057-00-2
InChIKey: NBHIKQNUKYXFKJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H34-N2-O-S2.C-H4-O3-S

Molecular Weight

  • 538.7942
 
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Names and Synonyms

  • 1-Piperazinepropanol, 4-(10,11-dihydro-8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, monomethanesulfonate

Registry Numbers

CAS Registry Number

  • 56057-00-2

System Generated Number

  • 0056057002

Molecular Formulas

Molecular Formula

  • C25-H34-N2-O-S2.C-H4-O3-S

Molecular Formula Fragments

  • C-H4-O3-S
  • C25-H34-N2-O-S2
  • COMPONENT

Structure Descriptors

InChI

1S/C25H34N2OS2.CH4O3S/c1-19(2)18-29-21-8-9-25-22(17-21)23(16-20-6-3-4-7-24(20)30-25)27-13-11-26(12-14-27)10-5-15-28;1-5(2,3)4/h3-4,6-9,17,19,23,28H,5,10-16,18H2,1-2H3;1H3,(H,2,3,4)

InChIKey

NBHIKQNUKYXFKJ-UHFFFAOYSA-N

Smiles

CC(C)CSc1ccc2c(c1)C(Cc3ccccc3S2)N4CCN(CC4)CCCO.CS(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 456mg/kg (456mg/kg) BEHAVIORAL: ATAXIA Collection of Czechoslovak Chemical Communications. Vol. 39, Pg. 3338, 1974.