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Substance Name: 1-Piperazineethanol, 4-(2-((6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2)
RN: 96122-32-6
InChIKey: NWUDFGZRJAXHOE-SPIKMXEPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H30-N2-O2-S.2C4-H4-O4

Molecular Weight

  • 630.7112
 
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Names and Synonyms

  • 1-Piperazineethanol, 4-(2-((6,11-dihydro-2-methyldibenzo(b,e)thiepin-11-yl)oxy)ethyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 96122-32-6

System Generated Number

  • 0096122326

Molecular Formulas

Molecular Formula

  • C23-H30-N2-O2-S.2C4-H4-O4

Molecular Formula Fragments

  • C23-H30-N2-O2-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H30N2O2S.2C4H4O4/c1-18-6-7-22-21(16-18)23(20-5-3-2-4-19(20)17-28-22)27-15-13-25-10-8-24(9-11-25)12-14-26;2*5-3(6)1-2-4(7)8/h2-7,16,23,26H,8-15,17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

InChIKey

NWUDFGZRJAXHOE-SPIKMXEPSA-N

Smiles

C(=O)(/C=C\C(=O)O)O.N1(CCN(CC1)CCOC1c2c(SCc3c1cccc3)ccc(c2)C)CCO.C(=O)(/C=C\C(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3165mg/kg (3165mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Collection of Czechoslovak Chemical Communications. Vol. 49, Pg. 2520, 1984.