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Substance Name: 2-Pyridinecarboxylic acid, 5-(4-chlorophenoxy)-, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl ester
RN: 85446-83-9
InChIKey: LCZGCUDXXXLFQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C41-H56-Cl-N-O4

Molecular Weight

  • 662.3494
 
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Names and Synonyms

Synonym

  • dl-alpha-Tocopheryl 5-(4-chlorophenyloxy)picolinate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 85446-83-9

System Generated Number

  • 0085446839

Structure Descriptors

InChI

1S/C41H56ClNO4/c1-27(2)12-9-13-28(3)14-10-15-29(4)16-11-24-41(8)25-23-36-32(7)38(30(5)31(6)39(36)47-41)46-40(44)37-22-21-35(26-43-37)45-34-19-17-33(42)18-20-34/h17-22,26-29H,9-16,23-25H2,1-8H3

InChIKey

LCZGCUDXXXLFQN-UHFFFAOYSA-N

Smiles

Cc1c(c(c(c2c1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)c3ccc(cn3)Oc4ccc(cc4)Cl)C

Toxicity

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