Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Ammonium, (2-(5-allyl-1-benzyl-5-isopropyl-2,4,6(1H,3H,5H)trioxo-3-pyrimidinyl)ethyl)diethylmethyl-, iodide
RN: 77967-02-3
InChIKey: PTYJTADUMMXTSW-UHFFFAOYSA-M

Molecular Formula

  • C24-H36-N3-O3.I

Molecular Weight

  • 541.466
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • Barbituric acid, 5-allyl-1-benzyl-3-(2-(diethylmethylammonio)ethyl)-5-isopropyl-, iodide
  • BB 25

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 77967-02-3

System Generated Number

  • 0077967023

Molecular Formulas

Molecular Formula

  • C24-H36-N3-O3.I

Molecular Formula Fragments

  • C24-H36-N3-O3
  • COMPONENT
  • I

Structure Descriptors

InChI

1S/C24H36N3O3.HI/c1-7-15-24(19(4)5)21(28)25(16-17-27(6,8-2)9-3)23(30)26(22(24)29)18-20-13-11-10-12-14-20;/h7,10-14,19H,1,8-9,15-18H2,2-6H3;1H/q+1;/p-1

InChIKey

PTYJTADUMMXTSW-UHFFFAOYSA-M

Smiles

C1([C@@](C(N(CC[N+](CC)(CC)C)C(N1Cc1ccccc1)=O)=O)(CC=C)C(C)C)=O.[IH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

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