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Substance Name: Mercumatilin sodium [INN]
RN: 60135-06-0
InChIKey: KLJDKONKMMIPDT-UHFFFAOYSA-L

Molecular Formula

  • C21-H21-Hg-N4-Na-O8 X H2-O

Molecular Weight

  • 680.9969
 
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Names and Synonyms

Name of Substance

  • Mercumatilin sodium [INN]

Synonyms

  • A mixture of sodium salt of 8-(3-(hydroxymercuri)-2-methoxypropyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid and theophylline
  • Mercumatilin sodium

Systematic Name

  • A mixture of sodium salt of 8-(3-(hyroxymercuri)-2-methoxypropyl)-2-oxo-2H-1-benzopyran-3-carboxylic acid and theophylline.

Registry Numbers

CAS Registry Number

  • 60135-06-0

System Generated Number

  • 0060135060

Molecular Formulas

Molecular Formula

  • C21-H21-Hg-N4-Na-O8 X H2-O

Molecular Formula Fragments

  • C21-H21-Hg-N4-Na-O8
  • H2-O

Structure Descriptors

InChI

1S/C14H13O5.C7H8N4O2.Hg.Na.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;;2*+1;/p-2

InChIKey

KLJDKONKMMIPDT-UHFFFAOYSA-L

Smiles

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