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Substance Name: Isonicotinamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-
RN: 77694-36-1
InChIKey: OHAKBSQJLKNLOY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H14-N2-O3

Molecular Weight

  • 234.254
 
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Names and Synonyms

Synonyms

  • BRN 5537512
  • N-(5,5-Dimethyl-2-oxotetrahydro-3-furyl)isonicotinamide

Systematic Name

  • Isonicotinamide, N-(5,5-dimethyl-2-oxotetrahydro-3-furyl)-

Registry Numbers

CAS Registry Number

  • 77694-36-1

System Generated Number

  • 0077694361

Structure Descriptors

InChI

1S/C12H14N2O3/c1-12(2)7-9(11(16)17-12)14-10(15)8-3-5-13-6-4-8/h3-6,9H,7H2,1-2H3,(H,14,15)

InChIKey

OHAKBSQJLKNLOY-UHFFFAOYSA-N

Smiles

C1[C@@H](NC(c2ccncc2)=O)C(OC1(C)C)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 150mg/kg (150mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 188, 1981.
mouse LD50 oral 1600mg/kg (1600mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 16, Pg. 188, 1981.