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Substance Name: Ammonium, (2-(1-benzyl-5,5-diallyl-2,4,6(1H,3H,5H)-trioxo-3-pyrimidinyl)ethyl)diethylmethyl-, iodide
RN: 77967-03-4
InChIKey: NVUNKYBCKNGOPY-UHFFFAOYSA-M

Molecular Formula

  • C24-H34-N3-O3.I

Molecular Weight

  • 539.451
 
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Names and Synonyms

Synonyms

  • Barbituric acid, 5,5-diallyl-1-benzyl-3-(2-(diethylmethylammonio)ethyl)-, iodide
  • BB 24

Systematic Name

  • Ammonium, (2-(1-benzyl-5,5-diallyl-2,4,6(1H,3H,5H)-trioxo-3-pyrimidinyl)ethyl)diethylmethyl-, iodide

Registry Numbers

CAS Registry Number

  • 77967-03-4

System Generated Number

  • 0077967034

Molecular Formulas

Molecular Formula

  • C24-H34-N3-O3.I

Molecular Formula Fragments

  • C24-H34-N3-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H34N3O3.HI/c1-6-15-24(16-7-2)21(28)25(17-18-27(5,8-3)9-4)23(30)26(22(24)29)19-20-13-11-10-12-14-20;/h6-7,10-14H,1-2,8-9,15-19H2,3-5H3;1H/q+1;/p-1

InChIKey

NVUNKYBCKNGOPY-UHFFFAOYSA-M

Smiles

C1(C(N(C(=O)N(C1=O)CC[N+](CC)(CC)C)Cc1ccccc1)=O)(CC=C)CC=C.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 170mg/kg (170mg/kg) CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 530, 1963.
rat LD50 intraperitoneal 170mg/kg (170mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)
Arzneimittel-Forschung. Drug Research. Vol. 13, Pg. 530, 1963.