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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, diundecyl ester
RN: 117654-53-2
InChIKey: CJUIMSOPQDIJNA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C38-H59-F2-N-O5

Molecular Weight

  • 647.8821
 
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Names and Synonyms

Synonym

  • BRN 6028807

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117654-53-2

System Generated Number

  • 0117654532

Structure Descriptors

InChI

1S/C38H59F2NO5/c1-5-7-9-11-13-15-17-19-23-27-44-36(42)33-29(3)41-30(4)34(35(33)31-25-21-22-26-32(31)46-38(39)40)37(43)45-28-24-20-18-16-14-12-10-8-6-2/h21-22,25-26,35,38,41H,5-20,23-24,27-28H2,1-4H3

InChIKey

CJUIMSOPQDIJNA-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(F)F)C(=O)OCCCCCCCCCCC)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.