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Substance Name: Neobiphylline
RN: 87531-63-3
InChIKey: RQXVCGDOACHSLR-UHFFFAOYSA-N

Note

  • Combination of theophylline, dyphylline & proxyphylline used in asthma therapy.

Molecular Weight

  • 672.656
 
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Names and Synonyms

Name of Substance

  • Neobiphylline

Synonyms

  • Nebetol
  • Neo-biphyllin

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-(2-hydroxypropyl)-1,3-dimethyl-, mixt. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione and 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione

Registry Numbers

CAS Registry Number

  • 87531-63-3

System Generated Number

  • 0087531633

Structure Descriptors

InChI

1S/C10H14N4O4.C10H14N4O3.C7H8N4O2/c1-12-8-7(9(17)13(2)10(12)18)14(5-11-8)3-6(16)4-15;1-6(15)4-14-5-11-8-7(14)9(16)13(3)10(17)12(8)2;1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h5-6,15-16H,3-4H2,1-2H3;5-6,15H,4H2,1-3H3;3H,1-2H3,(H,8,9)

InChIKey

RQXVCGDOACHSLR-UHFFFAOYSA-N

Smiles

n1(C[C@@H](CO)O)cnc2n(C)c(=O)n(C)c(=O)c12.[nH]1cnc2n(c(n(c(c12)=O)C)=O)C.n1(cnc2n(c(n(c(c12)=O)C)=O)C)C[C@@H](C)O