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Substance Name: Ircodin
RN: 65651-05-0
InChIKey: LVMLIZTWIPEUHG-SDLHAOEGSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N2-O2.C18-H21-N-O3.C13-H18-N2-O3.C13-H17-N3-O

Molecular Weight

  • 1089.3404
 
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Names and Synonyms

Results Name

  • Ircodin

Synonyms

  • Ircodin
  • Phenylbutazone, aminopyrine, heptabarbital combined with codeine

Systematic Name

  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5-alpha,6-alpha)-, mixt. with 4-butyl-1,2-diphenyl-3,5-pyrazolidinedione, 5-(1-cyclohepten-1-yl)-5-ethyl-2,4,6(1H,3H,5H)-pyrimidinetrione and 4-(dimethylamino)-1,2-dihydro-1,5-dimethyl-2-phenyl-3H-pyrazol-3-one

Registry Numbers

CAS Registry Number

  • 65651-05-0

System Generated Number

  • 0065651050

Molecular Formulas

Molecular Formula

  • C19-H20-N2-O2.C18-H21-N-O3.C13-H18-N2-O3.C13-H17-N3-O

Molecular Formula Fragments

  • C13-H17-N3-O
  • C13-H18-N2-O3
  • C18-H21-N-O3
  • C19-H20-N2-O2
  • COMPONENT

Structure Descriptors

InChI

1S/C19H20N2O2.C18H21NO3.C13H17N3O.C13H18N2O3/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h4-13,17H,2-3,14H2,1H3;3-6,11-13,17,20H,7-9H2,1-2H3;5-9H,1-4H3;7H,2-6,8H2,1H3,(H2,14,15,16,17,18)/t;11-,12+,13-,17-,18-;;/m.0../s1

InChIKey

LVMLIZTWIPEUHG-SDLHAOEGSA-N

Smiles

CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.CCC1(C(=O)NC(=O)NC1=O)C2=CCCCCC2.Cc1c(c(=O)n(n1C)c2ccccc2)N(C)C.CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intramuscular 1250mg/kg (1250mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 13, Pg. 97, 1977.