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Substance Name: 2,4(1H,3H)-Quinazolinedione, 3-pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-, oxalate (1:1)
RN: 23905-29-5
InChIKey: ADEMSKJGILOCMI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H27-N3-O2.C2-H2-O4

Molecular Weight

  • 443.497
 
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Names and Synonyms

Synonyms

  • 1,2,3,4-Tetrahydro-2,4-dioxo-3-pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)quinazoline oxalate
  • 3-Pentyl-1-(4-(1-pyrrolidinyl)-2-butynyl)-2,4(1H,3H)-quinazolinedione oxalate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 23905-29-5

System Generated Number

  • 0023905295

Molecular Formulas

Molecular Formula

  • C21-H27-N3-O2.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C21-H27-N3-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C21H27N3O2.C2H2O4/c1-2-3-6-17-24-20(25)18-11-4-5-12-19(18)23(21(24)26)16-10-9-15-22-13-7-8-14-22;3-1(4)2(5)6/h4-5,11-12H,2-3,6-8,13-17H2,1H3;(H,3,4)(H,5,6)

InChIKey

ADEMSKJGILOCMI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 27mg/kg (27mg/kg)   Acta Pharmaceutica Suecica. Vol. 6, Pg. 379, 1969.