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Substance Name: Mercumatilin
RN: 692248-08-1
UNII: 8F267D5WDT
InChIKey: IQHCCUCQCKCLOA-UHFFFAOYSA-M

Molecular Weight

  • 659.0148
 
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Names and Synonyms

Name of Substance

  • Mercumatilin

Synonyms

  • Mercumallylic acid theophylline
  • Mercumatilin ion
  • Mercurate(1-), (3-(3-carboxylato-2-oxo-2H-1-benzopyran-8-yl)-2-methoxypropyl)(3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-.kappa.n7,.kappa.o6)hydroxy-, (t-4)-
  • UNII-8F267D5WDT

Registry Numbers

CAS Registry Number

  • 692248-08-1

FDA UNII

  • 8F267D5WDT

System Generated Number

  • 0692248081

Structure Descriptors

InChI

1S/C14H13O5.C7H8N4O2.Hg.H2O/c1-8(18-2)6-9-4-3-5-10-7-11(13(15)16)14(17)19-12(9)10;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;/h3-5,7-8H,1,6H2,2H3,(H,15,16);3H,1-2H3,(H,8,9);;1H2/q;;+1;/p-1

InChIKey

IQHCCUCQCKCLOA-UHFFFAOYSA-M

Smiles

Cn1c2c(c(=O)n(c1=O)C)[nH]cn2.COC(Cc1cccc2c1oc(=O)c(c2)C(=O)O)C[Hg+].[OH-]