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Substance Name: 1-Acridinol, 1,2,3,4-tetrahydro-9-(((pentafluorophenyl)methyl)amino)-, (E)-2-butenedioate (1:1) (salt)
RN: 121445-21-4
InChIKey: PJHOBAOZIVAPRZ-WLHGVMLRSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H15-F5-N2-O.C4-H4-O4

Molecular Weight

  • 510.4131
 
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Names and Synonyms

  • 1-Acridinol, 1,2,3,4-tetrahydro-9-(((pentafluorophenyl)methyl)amino)-, (E)-2-butenedioate (1:1) (salt)

Registry Numbers

CAS Registry Number

  • 121445-21-4

System Generated Number

  • 0121445214

Molecular Formulas

Molecular Formula

  • C20-H15-F5-N2-O.C4-H4-O4

Molecular Formula Fragments

  • C20-H15-F5-N2-O
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C20H15F5N2O.C4H4O4/c21-15-10(16(22)18(24)19(25)17(15)23)8-26-20-9-4-1-2-5-11(9)27-12-6-3-7-13(28)14(12)20;5-3(6)1-2-4(7)8/h1-2,4-5,13,28H,3,6-8H2,(H,26,27);1-2H,(H,5,6)(H,7,8)/b;2-1+

InChIKey

PJHOBAOZIVAPRZ-WLHGVMLRSA-N

Smiles

c1ccc2c(c1)c(c3c(n2)CCCC3O)NCc4c(c(c(c(c4F)F)F)F)F.C(=C/C(=O)O)\C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intraperitoneal > 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 32, Pg. 1805, 1989.