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Substance Name: 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)
RN: 35739-55-0
InChIKey: CZLWCCZNRFJTCE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H54-N6-O4.3C2-H2-O4

Molecular Weight

  • 953.006
 
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Names and Synonyms

Synonym

  • 7-Butoxy-3-(4-(diethylamino)-2-butynyl)-4(3H)-quinazolinone oxalate (2:3)

Systematic Name

  • 4(3H)-Quinazolinone, 7-butoxy-3-(4-(diethylamino)-2-butynyl)-, oxalate (2:3)

Registry Numbers

CAS Registry Number

  • 35739-55-0

System Generated Number

  • 0035739550

Molecular Formulas

Molecular Formula

  • C40-H54-N6-O4.3C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C40-H54-N6-O4
  • COMPONENT

Structure Descriptors

InChI

1S/2C20H27N3O2.3C2H2O4/c2*1-4-7-14-25-17-10-11-18-19(15-17)21-16-23(20(18)24)13-9-8-12-22(5-2)6-3;3*3-1(4)2(5)6/h2*10-11,15-16H,4-7,12-14H2,1-3H3;3*(H,3,4)(H,5,6)

InChIKey

CZLWCCZNRFJTCE-UHFFFAOYSA-N

Smiles

c1(ccc2c(n(cnc2c1)CC#CCN(CC)CC)=O)OCCCC.C(C(=O)O)(=O)O.C(C(=O)O)(=O)O.C(C(=O)O)(=O)O.c1(ccc2c(c1)ncn(c2=O)CC#CCN(CC)CC)OCCCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 32mg/kg (32mg/kg)   Acta Pharmaceutica Suecica. Vol. 8, Pg. 639, 1971.