8-Chlorotheophylline

CAS Registry Number®

85-18-7

CAS Name

8-Chlorotheophylline

Molecular Formula

C7H7ClN4O2

Molecular Mass

214.61

Cite this Page

8-Chlorotheophylline.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=85-18-7 (retrieved 2024-11-22) (CAS RN: 85-18-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    290 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)

InChIKey

InChIKey=RYIGNEOBDRVTHA-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1C)N=C(Cl)N2

Canonical SMILES

O=C1C=2NC(Cl)=NC2N(C(=O)N1C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 8-chloro-3,9-dihydro-1,3-dimethyl-
  • Theophylline, 8-chloro-
  • 1H-Purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-
  • 8-Chloro-3,9-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • 8-Chlorotheophylline

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Deleted or Replaced CAS Registry Numbers

133294-21-0, 858452-96-7

CAS INSIGHTSTM
Targeted protein degrader structure, illustration