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Substance Name: Piperazine, 1-(10,11-dihydro-8-(ethylthio)-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
RN: 70931-73-6
InChIKey: NUAHBEPMCFTZQZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-F-N2-S2.C4-H4-O4

Molecular Weight

  • 504.6441
 
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Names and Synonyms

Synonyms

  • 2-Ethylthio-7-fluoro-11-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • 8-(Ethylthio)-3-fluoro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin maleate
  • Compound 12329

Systematic Name

  • Piperazine, 1-(10,11-dihydro-8-(ethylthio)-3-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 70931-73-6

System Generated Number

  • 0070931736

Molecular Formulas

Molecular Formula

  • C21-H25-F-N2-S2.C4-H4-O4

Molecular Formula Fragments

  • C21-H25-F-N2-S2
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H25FN2S2.C4H4O4/c1-3-25-17-6-7-20-18(14-17)19(24-10-8-23(2)9-11-24)12-15-4-5-16(22)13-21(15)26-20;5-3(6)1-2-4(7)8/h4-7,13-14,19H,3,8-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

NUAHBEPMCFTZQZ-WLHGVMLRSA-N

Smiles

CCSc1ccc2c(c1)C(Cc3ccc(cc3S2)F)N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 67mg/kg (67mg/kg)   United States Patent Document. Vol. #4243805,