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Substance Name: Barbituric acid, 5-allyl-1-benzyl-3-(2-morpholinoethyl)-5-isopropyl-, hydrochloride
RN: 78109-67-8
InChIKey: BKIYECRDVFOLOB-UHFFFAOYSA-N

Molecular Formula

  • C23-H31-N3-O4.Cl-H

Molecular Weight

  • 449.976
 
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Names and Synonyms

Synonym

  • BB 39

Systematic Name

  • Barbituric acid, 5-allyl-1-benzyl-3-(2-morpholinoethyl)-5-isopropyl-, hydrochloride

Registry Numbers

CAS Registry Number

  • 78109-67-8

System Generated Number

  • 0078109678

Molecular Formulas

Molecular Formula

  • C23-H31-N3-O4.Cl-H

Molecular Formula Fragments

  • C23-H31-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N3O4.ClH/c1-4-10-23(18(2)3)20(27)25(12-11-24-13-15-30-16-14-24)22(29)26(21(23)28)17-19-8-6-5-7-9-19;/h4-9,18H,1,10-17H2,2-3H3;1H

InChIKey

BKIYECRDVFOLOB-UHFFFAOYSA-N

Smiles

C1([C@@](C(N(CC[NH+]2CCOCC2)C(N1Cc1ccccc1)=O)=O)(CC=C)C(C)C)=O.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 570mg/kg (570mg/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.