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Substance Name: 2,4(1H,3H)-Quinazolinedione, 3-allyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
RN: 23905-27-3
InChIKey: RIJUPJGDOXKHKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H21-N3-O2.C2-H2-O4

Molecular Weight

  • 413.428
 
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Names and Synonyms

Synonym

  • 3-Allyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate

Systematic Name

  • 2,4(1H,3H)-Quinazolinedione, 3-allyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)

Registry Numbers

CAS Registry Number

  • 23905-27-3

System Generated Number

  • 0023905273

Molecular Formulas

Molecular Formula

  • C19-H21-N3-O2.C2-H2-O4

Molecular Formula Fragments

  • C19-H21-N3-O2
  • C2-H2-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C19H21N3O2.C2H2O4/c1-2-11-22-18(23)16-9-3-4-10-17(16)21(19(22)24)15-8-7-14-20-12-5-6-13-20;3-1(4)2(5)6/h2-4,9-10H,1,5-6,11-15H2;(H,3,4)(H,5,6)

InChIKey

RIJUPJGDOXKHKZ-UHFFFAOYSA-N

Smiles

n1(c2ccccc2c(=O)n(CC=C)c1=O)CC#CCN1CCCC1.C(C(=O)O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 18mg/kg (18mg/kg)   Acta Pharmaceutica Suecica. Vol. 6, Pg. 379, 1969.