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Substance Name: Barbituric acid, 5-acetonyl-5-allyl-1-methyl-, 5,5'-imidocarbonyldihydrazone, hydrochloride
RN: 37175-95-4
InChIKey: JLKKEFCUDCIKOJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H31-N9-O6.x-Cl-H

Molecular Weight

  • 529.555
 
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Names and Synonyms

Synonyms

  • 5-Acetonyl-5-allyl-1-methylbarbituric acid 5,5'-imidocarbonyldihydrazone hydrochloride
  • N,N'-Bis(1-methyl-5-allyl-5-propylidenebarbituryl)diaminoguanidine hydrochloride

Systematic Name

  • Barbituric acid, 5-acetonyl-5-allyl-1-methyl-, 5,5'-imidocarbonyldihydrazone, hydrochloride

Registry Numbers

CAS Registry Number

  • 37175-95-4

System Generated Number

  • 0037175954

Molecular Formulas

Molecular Formula

  • C23-H31-N9-O6.x-Cl-H

Molecular Formula Fragments

  • C23-H31-N9-O6
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C23H31N9O6/c1-7-9-22(13(33)26-18(37)28(5)15(22)35)11-20(3)30(25)17(24)31-21(4,32(20)31)12-23(10-8-2)14(34)27-19(38)29(6)16(23)36/h7-8,24H,1-2,9-12,25H2,3-6H3,(H,26,33,37)(H,27,34,38)

InChIKey

JLKKEFCUDCIKOJ-UHFFFAOYSA-N

Smiles

C1(N2[N@@]([C@@]2(C[C@@]2(C(NC(N(C2=O)C)=O)=O)CC=C)C)[C@@](C[C@@]2(C(NC(N(C2=O)C)=O)=O)CC=C)(C)N1N)=N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 537mg/kg (537mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Archivum Immunologiae et Therapiae Experimentalis. Vol. 20, Pg. 385, 1972.