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Substance Name: Alpha-tocopherol 5-n-butyl-2-pyridinecarboxylate
RN: 85446-70-4
InChIKey: XTYRVANKSWHSEN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H61-N-O3

Molecular Weight

  • 591.915
 
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Names and Synonyms

Name of Substance

  • Alpha-tocopherol 5-n-butyl-2-pyridinecarboxylate

Synonyms

  • dl-alpha-Tocopheryl 5-butylpicolinate
  • TF 80

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85446-70-4

System Generated Number

  • 0085446704

Structure Descriptors

InChI

1S/C39H61NO3/c1-10-11-20-33-21-22-35(40-26-33)38(41)42-36-30(6)31(7)37-34(32(36)8)23-25-39(9,43-37)24-14-19-29(5)18-13-17-28(4)16-12-15-27(2)3/h21-22,26-29H,10-20,23-25H2,1-9H3

InChIKey

XTYRVANKSWHSEN-UHFFFAOYSA-N

Smiles

c1(ccc(cn1)CCCC)C(=O)Oc1c(c(c2c(CC[C@@](O2)(CCC[C@@H](CCC[C@@H](CCCC(C)C)C)C)C)c1C)C)C

Toxicity

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