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Substance Name: 3-Pyridinecarboxylic acid, 2-(3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-yl)ethyl ester
RN: 104568-55-0
InChIKey: ZOVSZMJTWVZDFS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H25-N-O4

Molecular Weight

  • 355.4315
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 104568-55-0

System Generated Number

  • 0104568550

Structure Descriptors

InChI

1S/C21H25NO4/c1-13-14(2)19-17(15(3)18(13)23)7-8-21(4,26-19)9-11-25-20(24)16-6-5-10-22-12-16/h5-6,10,12,23H,7-9,11H2,1-4H3

InChIKey

ZOVSZMJTWVZDFS-UHFFFAOYSA-N

Smiles

Cc1c(c2c(c(c1O)C)CCC(O2)(C)CCOC(=O)c3cccnc3)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,