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Substance Name: Barbituric acid, 5-allyl-1-benzyl-3-(2-(dimethylamino)ethyl)-5-isopropyl-, hydrochloride
RN: 78109-65-6
InChIKey: ANQNNBDIHLKZCC-UHFFFAOYSA-N

Molecular Formula

  • C21-H29-N3-O3.Cl-H

Molecular Weight

  • 407.939
 
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Names and Synonyms

Synonym

  • BB 29

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78109-65-6

System Generated Number

  • 0078109656

Molecular Formulas

Molecular Formula

  • C21-H29-N3-O3.Cl-H

Molecular Formula Fragments

  • C21-H29-N3-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H29N3O3.ClH/c1-6-12-21(16(2)3)18(25)23(14-13-22(4)5)20(27)24(19(21)26)15-17-10-8-7-9-11-17;/h6-11,16H,1,12-15H2,2-5H3;1H

InChIKey

ANQNNBDIHLKZCC-UHFFFAOYSA-N

Smiles

C1([C@@](C(N(CC[NH+](C)C)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 540mg/kg (540mg/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.