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Substance Name: 1,1'-Dimethylpurpurate-3,3'-diacetic acid
RN: 124433-73-4
InChIKey: PLNXXHPIACXIGG-NVNXTCNLSA-N

Note

  • Used as a calcium indicator in muscle.

Molecular Formula

  • C14-H13-N5-O10

Molecular Weight

  • 411.282
 
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Names and Synonyms

Name of Substance

  • 1,1'-Dimethylpurpurate-3,3'-diacetic acid

Synonyms

  • 1,1'-Dimethylpurpurate-3,3'-diacetic acid
  • Dmpdaa

Systematic Name

  • 1(2H)-Pyrimidineacetic acid, 5-((1-(carboxymethyl)hexahydro-3-methyl-2,4,6-trioxo-5-pyrimidinyl)imino)tetrahydro-3-methyl-2,4,6-trioxo-

Registry Numbers

CAS Registry Number

  • 124433-73-4

System Generated Number

  • 0124433734

Structure Descriptors

InChI

1S/C14H13N5O10/c1-16-9(24)7(11(26)18(13(16)28)3-5(20)21)15-8-10(25)17(2)14(29)19(12(8)27)4-6(22)23/h7H,3-4H2,1-2H3,(H,20,21)(H,22,23)/b15-8-

InChIKey

PLNXXHPIACXIGG-NVNXTCNLSA-N

Smiles

C1(N(C(\C(C(N1CC(=O)O)=O)=N\[C@@H]1C(N(C(N(C1=O)CC(=O)O)=O)C)=O)=O)C)=O