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Substance Name: 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)
RN: 132121-37-0
InChIKey: GSRZMUIHRJKQDS-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H27-F-N2-O-S.C4-H4-O4

Molecular Weight

  • 514.6149
 
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Names and Synonyms

Synonyms

  • 2-(4-(7-Fluoro-2-(2-propyl)dibenzo(b,f)thiepin-11-yl)-1-piperazinyl)ethanol maleate
  • VUFB-17156

Systematic Name

  • 1-Piperazineethanol, 4-(3-fluoro-8-(1-methylethyl)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 132121-37-0

System Generated Number

  • 0132121370

Molecular Formulas

Molecular Formula

  • C23-H27-F-N2-O-S.C4-H4-O4

Molecular Formula Fragments

  • C23-H27-F-N2-O-S
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C23H27FN2OS.C4H4O4/c1-16(2)17-4-6-22-20(13-17)21(26-9-7-25(8-10-26)11-12-27)14-18-3-5-19(24)15-23(18)28-22;5-3(6)1-2-4(7)8/h3-6,13-16,27H,7-12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

GSRZMUIHRJKQDS-WLHGVMLRSA-N

Smiles

CC(C)c1ccc2c(c1)C(=Cc3ccc(cc3S2)F)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 394mg/kg (394mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 55, Pg. 2282, 1990.