Acefylline

CAS Registry Number®

652-37-9
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CAS Name

Acefylline

Molecular Formula

C9H10N4O4

Molecular Mass

238.20

Cite this Page

Acefylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=652-37-9 (retrieved 2024-06-16) (CAS RN: 652-37-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    271 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C9H10N4O4/c1-11-7-6(8(16)12(2)9(11)17)13(4-10-7)3-5(14)15/h4H,3H2,1-2H3,(H,14,15)

InChIKey

InChIKey=HCYFGRCYSCXKNQ-UHFFFAOYSA-N

SMILES

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

Canonical SMILES

O=C(O)CN1C=NC2=C1C(=O)N(C(=O)N2C)C

Other Names for this Substance

  • 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • Purine-7-acetic acid, 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-
  • 1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetic acid
  • 7-Theophyllineacetic acid
  • 7-(Carboxymethyl)theophylline

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