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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(2-propoxyethyl) ester
RN: 108863-62-3
InChIKey: ASCWBYZMMHUZMQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C26-H35-F2-N-O7

Molecular Weight

  • 511.5585
 
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Names and Synonyms

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

Registry Numbers

CAS Registry Number

  • 108863-62-3

System Generated Number

  • 0108863623

Structure Descriptors

InChI

1S/C26H35F2NO7/c1-5-11-32-13-15-34-24(30)21-17(3)29-18(4)22(25(31)35-16-14-33-12-6-2)23(21)19-9-7-8-10-20(19)36-26(27)28/h7-10,23,26,29H,5-6,11-16H2,1-4H3

InChIKey

ASCWBYZMMHUZMQ-UHFFFAOYSA-N

Smiles

CCCOCCOC(=O)C1=C(NC(=C(C1c2ccccc2OC(F)F)C(=O)OCCOCCC)C)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 450mg/kg (450mg/kg)   Drugs of the Future. Vol. 20, Pg. 135, 1995.
mouse LD50 oral 730mg/kg (730mg/kg)   Drugs of the Future. Vol. 20, Pg. 135, 1995.