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Substance Name: 1-Piperazineethanol, 4-(7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)-, (Z)-2-butenedioate (1:2)
RN: 68351-32-6
InChIKey: SELLNCTYEWQGKU-LVEZLNDCSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H26-F2-N2-O.2C4-H4-O4

Molecular Weight

  • 604.5996
 
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Names and Synonyms

Synonym

  • VUFB-10588

Systematic Name

  • 1-Piperazineethanol, 4-(7-fluoro-4-(4-fluorophenyl)-1,2,3,4-tetrahydro-1-naphthalenyl)-, (Z)-2-butenedioate (1:2)

Registry Numbers

CAS Registry Number

  • 68351-32-6

System Generated Number

  • 0068351326

Molecular Formulas

Molecular Formula

  • C22-H26-F2-N2-O.2C4-H4-O4

Molecular Formula Fragments

  • C22-H26-F2-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C22H26F2N2O.2C4H4O4/c23-17-3-1-16(2-4-17)19-7-8-22(21-15-18(24)5-6-20(19)21)26-11-9-25(10-12-26)13-14-27;2*5-3(6)1-2-4(7)8/h1-6,15,19,22,27H,7-14H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1+

InChIKey

SELLNCTYEWQGKU-LVEZLNDCSA-N

Smiles

c1c(ccc(c1)F)C2c3c(cc(cc3)F)C(CC2)N4CCN(CC4)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 50mg/kg (50mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 43, Pg. 1760, 1978.