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Substance Name: 3'-Hydroxyamobarbital
RN: 1421-07-4
InChIKey: PUVZPWLDMBLALZ-UHFFFAOYSA-N

Note

  • Amobarbital metabolite in urine.

Molecular Formula

  • C11-H18-N2-O4

Molecular Weight

  • 242.2732
 
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Names and Synonyms

Name of Substance

  • 3'-Hydroxyamobarbital

Synonyms

  • 4-25-00-00452 (Beilstein Handbook Reference)
  • 5-Aethyl-5-(3-hydroxyisoamyl)barbitursaeure
  • 5-Aethyl-5-(3-hydroxyisoamyl)barbitursaeure [German]
  • 5-Ethyl-5-(3-hydroxyisopentyl)barbituric acid
  • BRN 0240151
  • Faktor I
  • Faktor I [German]

Systematic Names

  • 5-Ethyl-5-(3-hydroxy-3-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
  • Barbituric acid, 5-ethyl-5-(3-hydroxyisopentyl)-

Registry Numbers

CAS Registry Number

  • 1421-07-4

System Generated Number

  • 0001421074

Structure Descriptors

InChI

1S/C11H18N2O4/c1-4-11(6-5-10(2,3)17)7(14)12-9(16)13-8(11)15/h17H,4-6H2,1-3H3,(H2,12,13,14,15,16)

InChIKey

PUVZPWLDMBLALZ-UHFFFAOYSA-N

Smiles

CCC1(CCC(C)(C)O)C(=O)NC(=O)NC1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 560mg/kg (560mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 15, Pg. 688, 1965.