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Substance Name: Mersalyl theophylline
RN: 63869-00-1
InChIKey: MCAZROWLDRMAMH-UHFFFAOYSA-L

Classification Codes

  • Drug / Therapeutic Agent
  • Organometallic

Molecular Formula

  • C13-H16-Hg-N-O6.C7-H8-N4-O2.Na

Molecular Weight

  • 686.017
 
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Names and Synonyms

Results Name

  • Mersalyl theophylline

Synonyms

  • Mersalyl theophylline
  • Salyrgan theophylline
  • Sodium o-((3-hydroxymercuri-2-methoxypropyl)carbamyl)phenoxyacetate and theophylline

Systematic Name

  • Mercury, (3-(alpha-carboxy-o-anisamido)-2-methoxypropyl)hydroxy-, sodium salt, compd. with theophylline (1:1)

Registry Numbers

CAS Registry Number

  • 63869-00-1

System Generated Number

  • 0063869001

Molecular Formulas

Molecular Formula

  • C13-H16-Hg-N-O6.C7-H8-N4-O2.Na

Molecular Formula Fragments

  • C13-H16-Hg-N-O6
  • C7-H8-N4-O2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C13H16NO5.C7H8N4O2.Hg.Na.H2O/c1-9(18-2)8-14(13(16)17)12(15)10-6-4-5-7-11(10)19-3;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;;;/h4-7,9H,1,8H2,2-3H3,(H,16,17);3H,1-2H3,(H,8,9);;;1H2/q;;2*+1;/p-2

InChIKey

MCAZROWLDRMAMH-UHFFFAOYSA-L

Smiles

c12c([nH]cn2)n(c(=O)n(c1=O)C)C.c1(c(cccc1)OC)C(N(C[C@@H](C[Hg]O)OC)C(=O)[O-])=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 253mg/kg (253mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.
mouse LDLo intraperitoneal 131mg/kg (131mg/kg)   Compilation of LD50 Values of New Drugs.
mouse LDLo oral 530mg/kg (530mg/kg)   Compilation of LD50 Values of New Drugs.
rat LD50 intramuscular 37mg/kg (37mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 336, 1952.