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Substance Name: XE 820
RN: 71791-90-7
InChIKey: IBSBJKKZJRFYFN-UHFFFAOYSA-N

Molecular Weight

  • 612.723
 
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Names and Synonyms

Name of Substance

  • XE 820

Synonyms

  • 1,4-Dihydro-2,6-dimethyl-4-(m-nitrophenyl)-3,5-pyridinedicarboxylic acid di-2-(methyl(phenylmethyl)amino)ethyl ester
  • XE820

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, bis(2-(methyl(phenylmethyl)amino)ethyl) ester

Registry Numbers

CAS Registry Number

  • 71791-90-7

System Generated Number

  • 0071791907

Structure Descriptors

InChI

1S/C35H40N4O6/c1-25-31(34(40)44-20-18-37(3)23-27-12-7-5-8-13-27)33(29-16-11-17-30(22-29)39(42)43)32(26(2)36-25)35(41)45-21-19-38(4)24-28-14-9-6-10-15-28/h5-17,22,33,36H,18-21,23-24H2,1-4H3

InChIKey

IBSBJKKZJRFYFN-UHFFFAOYSA-N

Smiles

C1(=C(C(C(=C(N1)C)C(=O)OCC[N@@](Cc1ccccc1)C)c1cc(ccc1)[N+](=O)[O-])C(=O)OCC[N@@](Cc1ccccc1)C)C