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Substance Name: 2-Pyridinecarboxylic acid, 5-(4-hydroxybutyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
RN: 85446-77-1
InChIKey: LTLOENKSMWBGRM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H61-N-O4

Molecular Weight

  • 607.9139
 
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Names and Synonyms

Synonym

  • dl-alpha-Tocopheryl 5-benzyloxypicolinate

Systematic Name

  • 2-Pyridinecarboxylic acid, 5-(4-hydroxybutyl)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester

Registry Numbers

CAS Registry Number

  • 85446-77-1

System Generated Number

  • 0085446771

Structure Descriptors

InChI

1S/C39H61NO4/c1-27(2)14-11-15-28(3)16-12-17-29(4)18-13-23-39(8)24-22-34-32(7)36(30(5)31(6)37(34)44-39)43-38(42)35-21-20-33(26-40-35)19-9-10-25-41/h20-21,26-29,41H,9-19,22-25H2,1-8H3

InChIKey

LTLOENKSMWBGRM-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c2c1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)c3ccc(cn3)CCCCO)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 4gm/kg (4000mg/kg)   European Patent Application. Vol. #0066242,