Diprophylline

CAS Registry Number®

479-18-5
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CAS Name

Diprophylline

Molecular Formula

C10H14N4O4

Molecular Mass

254.24

Cite this Page

Diprophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=479-18-5 (retrieved 2024-05-20) (CAS RN: 479-18-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    158 °C

Source(s)

  • (1) Hazardous Substances Data Bank data were obtained from the National Library of Medicine (US)

Other Names and Identifiers

InChI

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

InChIKey

InChIKey=KSCFJBIXMNOVSH-UHFFFAOYSA-N

SMILES

C(C(CO)O)N1C2=C(N(C)C(=O)N(C)C2=O)N=C1

Canonical SMILES

O=C1C2=C(N=CN2CC(O)CO)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 7-(2,3-dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-
  • Theophylline, 7-(2,3-dihydroxypropyl)-
  • 7-(2,3-Dihydroxypropyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • AFI-phyllin
  • Astrophyllin

Deleted or Replaced CAS Registry Numbers

52756-53-3, 68350-70-9

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