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Substance Name: 1,4-Pentanediamine, N(sup 1),N(sup 1)-diethyl-N(sup 4)-(6-nitro-2-(2-(pentafluorophenyl)ethenyl)-4-quinazolinyl)-
RN: 74151-28-3
InChIKey: FYOITMUCKVAKHF-PKNBQFBNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C25-H26-F5-N5-O2

Molecular Weight

  • 523.5034
 
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Names and Synonyms

Synonym

  • BRN 5324336

Systematic Name

  • 1,4-Pentanediamine, N(sup 1),N(sup 1)-diethyl-N(sup 4)-(6-nitro-2-(2-(pentafluorophenyl)ethenyl)-4-quinazolinyl)-

Registry Numbers

CAS Registry Number

  • 74151-28-3

System Generated Number

  • 0074151283

Structure Descriptors

InChI

1S/C25H26F5N5O2/c1-4-34(5-2)12-6-7-14(3)31-25-17-13-15(35(36)37)8-10-18(17)32-19(33-25)11-9-16-20(26)22(28)24(30)23(29)21(16)27/h8-11,13-14H,4-7,12H2,1-3H3,(H,31,32,33)/b11-9+

InChIKey

FYOITMUCKVAKHF-PKNBQFBNSA-N

Smiles

CCN(CC)CCCC(C)Nc1c2cc(ccc2nc(n1)/C=C/c3c(c(c(c(c3F)F)F)F)F)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Pharmaceutical Chemistry Journal Vol. 14, Pg. 119, 1980.