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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ditetradecyl ester
RN: 117654-54-3
InChIKey: UTACJMGUZMXDSE-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C44-H71-F2-N-O5

Molecular Weight

  • 732.0429
 
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Names and Synonyms

Synonym

  • BRN 6032930

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, ditetradecyl ester

Registry Numbers

CAS Registry Number

  • 117654-54-3

System Generated Number

  • 0117654543

Structure Descriptors

InChI

1S/C44H71F2NO5/c1-5-7-9-11-13-15-17-19-21-23-25-29-33-50-42(48)39-35(3)47-36(4)40(41(39)37-31-27-28-32-38(37)52-44(45)46)43(49)51-34-30-26-24-22-20-18-16-14-12-10-8-6-2/h27-28,31-32,41,44,47H,5-26,29-30,33-34H2,1-4H3

InChIKey

UTACJMGUZMXDSE-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(F)F)C(=O)OCCCCCCCCCCCCCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3gm/kg (3000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 22, Pg. 810, 1988.