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Substance Name: Barbituric acid, 1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-
RN: 27512-02-3
InChIKey: AQEFRZWUGXKHCV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H32-N2-O5

Molecular Weight

  • 404.504
 
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Names and Synonyms

Synonyms

  • 1,3-Bis(butoxymethyl)-5-ethyl-5-phenylbarbituric acid
  • 5-24-09-00292 (Beilstein Handbook Reference)
  • BRN 0583894
  • N,N'-Dibutoxymethyl phenobarbital

Systematic Name

  • Barbituric acid, 1,3-bis(butoxymethyl)-5-ethyl-5-phenyl-

Registry Numbers

CAS Registry Number

  • 27512-02-3

System Generated Number

  • 0027512023

Structure Descriptors

InChI

1S/C22H32N2O5/c1-4-7-14-28-16-23-19(25)22(6-3,18-12-10-9-11-13-18)20(26)24(21(23)27)17-29-15-8-5-2/h9-13H,4-8,14-17H2,1-3H3

InChIKey

AQEFRZWUGXKHCV-UHFFFAOYSA-N

Smiles

C1(N(C(C(C(N1COCCCC)=O)(c1ccccc1)CC)=O)COCCCC)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 500mg/kg (500mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 187, 1971.