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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, didodecyl ester
RN: 117632-00-5
InChIKey: MECZMBWWTDXHPF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C40-H63-F2-N-O5

Molecular Weight

  • 675.9357
 
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Names and Synonyms

Synonym

  • BRN 6030075

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 117632-00-5

System Generated Number

  • 0117632005

Structure Descriptors

InChI

1S/C40H63F2NO5/c1-5-7-9-11-13-15-17-19-21-25-29-46-38(44)35-31(3)43-32(4)36(37(35)33-27-23-24-28-34(33)48-40(41)42)39(45)47-30-26-22-20-18-16-14-12-10-8-6-2/h23-24,27-28,37,40,43H,5-22,25-26,29-30H2,1-4H3

InChIKey

MECZMBWWTDXHPF-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(F)F)C(=O)OCCCCCCCCCCCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LD50 intraperitoneal 2gm/kg (2000mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 534, 1988.
mouse LD50 intraperitoneal 2gm/kg (2000mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 22, Pg. 810, 1988.