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Substance Name: Ammonium, diisobutyl(5-diisobutylamino-2,4-pentadienylidene)-, perchlorate
RN: 23996-94-3
InChIKey: IIIDAJOFIHRHPY-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H41-N2.Cl-O4

Molecular Weight

  • 421.018
 
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Names and Synonyms

Synonym

  • Diisobutyl(5-diisobutylamino-2,4-pentadienylidene)ammonium perchlorate

Systematic Name

  • Ammonium, diisobutyl(5-diisobutylamino-2,4-pentadienylidene)-, perchlorate

Registry Numbers

CAS Registry Number

  • 23996-94-3

System Generated Number

  • 0023996943

Molecular Formulas

Molecular Formula

  • C21-H41-N2.Cl-O4

Molecular Formula Fragments

  • C21-H41-N2
  • Cl-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C21H41N2.ClHO4/c1-18(2)14-22(15-19(3)4)12-10-9-11-13-23(16-20(5)6)17-21(7)8;2-1(3,4)5/h9-13,18-21H,14-17H2,1-8H3;(H,2,3,4,5)/q+1;/p-1

InChIKey

IIIDAJOFIHRHPY-UHFFFAOYSA-M

Smiles

Cl(=O)([O-])(=O)=O.N(CC(C)C)(CC(C)C)\C=C\C=C\C=[N+](/CC(C)C)CC(C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50mg/kg (50mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.
mouse LD50 oral 200mg/kg (200mg/kg)   Journal of Medicinal Chemistry. Vol. 12, Pg. 806, 1969.