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Substance Name: Picolinic acid, 5-butoxy-, 3-oxo-1-phthalanyl ester
RN: 66933-10-6
InChIKey: NBNAQXGFCRBIEQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H17-N-O5

Molecular Weight

  • 327.3343
 
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Names and Synonyms

Synonyms

  • 2-Pyridinecarboxylic acid, 5-butoxy-, 1,3-dihydro-3-oxo-1-isobenzofuranyl ester
  • 3-Oxo-1-phthalanyl 5-butoxypicolinate
  • BRN 0492546

Systematic Name

  • Picolinic acid, 5-butoxy-, 3-oxo-1-phthalanyl ester

Registry Numbers

CAS Registry Number

  • 66933-10-6

System Generated Number

  • 0066933106

Structure Descriptors

InChI

1S/C18H17NO5/c1-2-3-10-22-12-8-9-15(19-11-12)17(21)24-18-14-7-5-4-6-13(14)16(20)23-18/h4-9,11,18H,2-3,10H2,1H3

InChIKey

NBNAQXGFCRBIEQ-UHFFFAOYSA-N

Smiles

CCCCOc1ccc(nc1)C(=O)OC2c3ccccc3C(=O)O2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 300mg/kg (300mg/kg)   Journal of Pharmacobio-Dynamics. Vol. 6, Pg. 922, 1983.
mouse LD50 oral > 1200mg/kg (1200mg/kg)   Journal of Pharmacobio-Dynamics. Vol. 6, Pg. 922, 1983.