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Substance Name: Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)
RN: 33837-41-1
InChIKey: TWOYWYFCPVKMAT-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H23-N3-O7

Molecular Weight

  • 405.405
 
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Names and Synonyms

Synonyms

  • 5-(2-Hydroxypropyl)-5-(1-methylbutyl)barbituric acid 5-(p-nitrobenzoate)
  • 5-25-03-00288 (Beilstein Handbook Reference)
  • BRN 0725945

Systematic Name

  • Barbituric acid, 5-(2-hydroxypropyl)-5-(1-methylbutyl)-, 5-(p-nitrobenzoate)

Registry Numbers

CAS Registry Number

  • 33837-41-1

System Generated Number

  • 0033837411

Structure Descriptors

InChI

1S/C19H23N3O7/c1-4-6-11(3)21-17(26)19(9-5-2,16(25)20-18(21)27)14-10-12(22(28)29)7-8-13(14)15(23)24/h7-8,10-11H,4-6,9H2,1-3H3,(H,23,24)(H,20,25,27)

InChIKey

TWOYWYFCPVKMAT-UHFFFAOYSA-N

Smiles

C([C@@H](N1C(NC([C@@](C1=O)(CCC)c1c(C(=O)O)ccc(c1)[N+](=O)[O-])=O)=O)C)CC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal 1gm/kg (1000mg/kg)   Journal of Medicinal Chemistry. Vol. 14, Pg. 853, 1971.