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Substance Name: 2-Pyridinecarboxylic acid, 5-(butylthio)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
RN: 85446-84-0
InChIKey: GQENONUHVAMROE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C39-H61-N-O3-S

Molecular Weight

  • 623.9809
 
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Names and Synonyms

Synonym

  • dl-alpha-Tocopheryl 5-butylthiopicolinate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85446-84-0

System Generated Number

  • 0085446840

Structure Descriptors

InChI

1S/C39H61NO3S/c1-10-11-25-44-33-20-21-35(40-26-33)38(41)42-36-30(6)31(7)37-34(32(36)8)22-24-39(9,43-37)23-14-19-29(5)18-13-17-28(4)16-12-15-27(2)3/h20-21,26-29H,10-19,22-25H2,1-9H3

InChIKey

GQENONUHVAMROE-UHFFFAOYSA-N

Smiles

CCCCSc1ccc(nc1)C(=O)Oc2c(c(c3c(c2C)CCC(O3)(C)CCCC(C)CCCC(C)CCCC(C)C)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,