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Substance Name: Quadrinal
RN: 78515-92-1
InChIKey: JPLZJURKBSZESN-HQCFJGRNSA-K

Note

  • Combination of ephedrine, phenobarbital, theophylline calcium salicylate & potassium iodide for asthma therapy; iodide implicated in congenital goiter of newborn when given to pregnant mother.

Molecular Weight

  • 1094.4
 
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Names and Synonyms

Name of Substance

  • Quadrinal

Systematic Name

  • Benzoic acid, 2-hydroxy-, calcium salt (2:1), compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1), mixt. with 5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione, (R-(R*,S*))-alpha-(1-(methylamino)ethyl)benzenemethanol hydrochloride and potassium iodide (KI)

Registry Numbers

CAS Registry Number

  • 78515-92-1

System Generated Number

  • 0078515921

Structure Descriptors

InChI

1S/C12H12N2O3.C10H15NO.C7H8N4O2.2C7H6O3.Ca.ClH.HI.K/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;1-8(11-2)10(12)9-6-4-3-5-7-9;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;2*8-6-4-2-1-3-5(6)7(9)10;;;;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);3-8,10-12H,1-2H3;3H,1-2H3,(H,8,9);2*1-4,8H,(H,9,10);;2*1H;/q;;;;;+2;;;+1/p-3/t;8-,10-;;;;;;;/m.0......./s1

InChIKey

JPLZJURKBSZESN-HQCFJGRNSA-K

Smiles

c1(ccccc1)[C@@H](O)[C@H](C)NC.Cl.[K+].[IH-].C1(NC(C(C(=O)N1)(c1ccccc1)CC)=O)=O.[nH]1cnc2n(c(n(c(c12)=O)C)=O)C.[Ca+2].C(c1c(cccc1)O)(=O)[O-].C(c1c(cccc1)O)(=O)[O-]