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Substance Name: Purpurate-3,3'-diacetic acid
RN: 123533-63-1
InChIKey: KQMNFORLTALWHP-MLPAPPSSSA-N

Note

  • Used as a calcium indicator in muscle.

Molecular Weight

  • 383.228
 
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Names and Synonyms

Name of Substance

  • Purpurate-3,3'-diacetic acid

Synonym

  • PDAA

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 123533-63-1

System Generated Number

  • 0123533631

Structure Descriptors

InChI

InChI=1S/C12H9N5O10/c18-3(19)1-16-9(24)5(7(22)14-11(16)26)13-6-8(23)15-12(27)17(10(6)25)2-4(20)21/h5H,1-2H2,(H,18,19)(H,20,21)(H,14,22,26)(H,15,23,27)/b13-6-

InChIKey

KQMNFORLTALWHP-MLPAPPSSSA-N

Smiles

OC(=O)CN1C(=O)NC(=O)C(\N=C/2\C(=O)NC(=O)N(CC(=O)O)C2=O)C1=O