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Substance Name: 3-Pyridinecarboxylic acid, 2-(3,4-dihydro-6-((3-pyridinylcarbonyl)oxy)-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester
RN: 104568-67-4
InChIKey: QPWRLXHOVLBKID-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C27-H28-N2-O5

Molecular Weight

  • 460.5272
 
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Names and Synonyms

Synonym

  • 3,4-Dihydro-2-nicotinoyloxyethyl-2,5,7,8-tetramethyl-2H-benzopyran-6-yl nicotinate

Systematic Name

  • 3-Pyridinecarboxylic acid, 2-(3,4-dihydro-6-((3-pyridinylcarbonyl)oxy)-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester

Registry Numbers

CAS Registry Number

  • 104568-67-4

System Generated Number

  • 0104568674

Structure Descriptors

InChI

1S/C27H28N2O5/c1-17-18(2)24-22(19(3)23(17)33-26(31)21-8-6-13-29-16-21)9-10-27(4,34-24)11-14-32-25(30)20-7-5-12-28-15-20/h5-8,12-13,15-16H,9-11,14H2,1-4H3

InChIKey

QPWRLXHOVLBKID-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c2c1OC(CC2)(C)CCOC(=O)c3cccnc3)C)OC(=O)c4cccnc4)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 5gm/kg (5000mg/kg)   United States Patent Document. Vol. #4681890,