Xanthinol

CAS Registry Number®

2530-97-4
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CAS Name

Xanthinol

Molecular Formula

C13H21N5O4

Molecular Mass

311.34

Cite this Page

Xanthinol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=2530-97-4 (retrieved 2024-04-26) (CAS RN: 2530-97-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C13H21N5O4/c1-15(4-5-19)6-9(20)7-18-8-14-11-10(18)12(21)17(3)13(22)16(11)2/h8-9,19-20H,4-7H2,1-3H3

InChIKey

InChIKey=DSFGXPJYDCSWTA-UHFFFAOYSA-N

SMILES

C(C(CN(CCO)C)O)N1C2=C(N=C1)N(C)C(=O)N(C)C2=O

Canonical SMILES

O=C1C2=C(N=CN2CC(O)CN(C)CCO)N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-
  • Theophylline, 7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-
  • 3,7-Dihydro-7-[2-hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]-1,3-dimethyl-1H-purine-2,6-dione
  • 7-[2-Hydroxy-3-[(2-hydroxyethyl)methylamino]propyl]theophylline
  • Xanthinol

Deleted or Replaced CAS Registry Numbers

117030-05-4, 59496-54-7

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