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Substance Name: theo-Hexanicit
RN: 59989-20-7
InChIKey: LJMXVGHKQJDECE-UHFFFAOYSA-N

Note

  • Treatment for vascular diseases; contains hexanicotinic acid ester of inositol, theophillin acetate, heptaminol, bamethane sulfate.

Molecular Formula

  • C9-H10-N4-O3.C8-H19-N-O

Molecular Weight

  • 367.4471
 
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Names and Synonyms

Name of Substance

  • theo-Hexanicit

Synonyms

  • 7-Theophyllinessigsaeure-(6-amino-2-methyl-2-heptyl)-ester
  • Cariamyl
  • Corophylline
  • EINECS 262-012-4
  • Heptaminol
  • Heptaminol etaphyllinate
  • Theo-Heptylon
  • theo-Hexanicit

Systematic Names

  • 1H-Purine-2,6-dione, 7-acetyl-3,7-dihydro-1,3-dimethyl-, compd with 6-amino-2-methyl-2-heptanol (1:1)
  • 2-Heptanol, 6-amino-2-methyl-, compd with 7-acetyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:1)
  • 7-Acetyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 6-amino-2-methylheptan-2-ol (1:1)

Registry Numbers

CAS Registry Number

  • 59989-20-7

System Generated Number

  • 0059989207

Molecular Formulas

Molecular Formula

  • C9-H10-N4-O3.C8-H19-N-O

Molecular Formula Fragments

  • C8-H19-N-O
  • C9-H10-N4-O3
  • COMPONENT

Structure Descriptors

InChI

1S/C9H10N4O3.C8H19NO/c1-5(14)13-4-10-7-6(13)8(15)12(3)9(16)11(7)2;1-7(9)5-4-6-8(2,3)10/h4H,1-3H3;7,10H,4-6,9H2,1-3H3

InChIKey

LJMXVGHKQJDECE-UHFFFAOYSA-N

Smiles

CC(N)CCCC(C)(C)O.CN1C(=O)N(C)c2ncn(C(=O)C)c2C1=O