Chemical Compound

7-(2-Chloroethyl)theophylline

CAS Registry Number 5878-61-5
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7-(2-Chloroethyl)theophylline chemical structure
Primary Record

7-(2-Chloroethyl)theophylline

In stock
2,698 g
Purity
98.7 %
CAS
5878-61-5

Compound Identifiers & Properties

CAS
5878-61-5
PubChem CID
1882
SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCCl
Canonical SMILES
Cn1c(=O)c2c(ncn2CCCl)n(C)c1=O

Names & Synonyms

  • 7-(2-Chloroethyl)theophylline
  • Benaphyllin
  • Eupnophile
  • 5878-61-5
  • 7-(Chloroethyl)theophylline
  • Benafylline
  • BENAPHYLLINE
  • beta-Chloroethyltheophylline
  • Theophylline, 7-(2-chloroethyl)-
  • 7-(beta-Chloroethyl)theophylline
  • C9H11ClN4O2
  • Spectrum_001908
  • 7- THEOPHYLLINE
  • A1IOQ
  • SpecPlus_000791
  • .beta.-Chloroethyltheophylline
  • AC1Q3ZGU
  • RefChem:545030
  • Spectrum2_001817
  • Spectrum3_001020
  • Spectrum4_001150
  • Spectrum5_001734
  • 7-(beta-Chlorethyl)theophylline
  • 7-CHLOROETHYLTHEOPHYLLINE
  • MFCD00005760
  • CHEMBL23903
  • UNII-Y7202UN6B7
  • AC1L1CG0
  • QCIARNIKNKKHFH-UHFFFAOYSA-N
  • Y7202UN6B7
  • 7-(2-Chloroethyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione
  • BSPBio_002779
  • KBioGR_001699
  • KBioSS_002446
  • ZINC999
  • 7-(.beta.-Chloroethyl)theophylline
  • MLS001048889
  • 7-(2-Chloroethyl)theophyline
  • DivK1c_006887
  • NSC 337614
  • SCHEMBL515987
  • DTXSID80207510
  • EINECS 227-553-2
  • SPBio_001833
  • 7-(.beta.-Chlorethyl)theophylline
  • 7-(beta-Chloroethyl)theophyline
  • NSC-337614
  • C9-H11-Cl-N4-O2
  • Chloroethyltheophylline (Related)
  • CTK5A8880
  • KBio1_001831
  • KBio2_002440
  • KBio2_005008
  • KBio2_007576
  • KBio3_001999
  • TIMTEC-BB SBB005578
  • BRN 0251755
  • CID1882
  • DTXCID30130001
  • CHEBI:107641
  • 7-(2-Chloroethyl)-1,3-dimethylxanthine
  • HMS2268J18
  • 7-(2-chloroethyl)-1,3-dimethylpurine-2,6-dione
  • BDBM50025584
  • CCG-39948
  • KM0242
  • NSC337614
  • SBB005578
  • STK526074
  • AKOS005459325
  • FC33317
  • GS-6128
  • J8.302J
  • 7-(beta-CHLOROETHYL)-THEOPHYLLINE
  • KS-0000137C
  • 1,3-Dimethyl-7-( beta-chloroethyl)xanthine
  • 1H-Purine-2,6-dione, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
  • NCGC00178475-01
  • 7-(2-CHLOROETHYL)THEOPHYLLINE 5G
  • PD094029
  • SMR000387086
  • SY053087
  • ZB000216
  • 1,3-Dimethyl-7-(beta-chloroethyl)xanthine
  • 7-(2-CHLOROETHYL)THEOPHYLLINE 25G
  • DB-053265
  • LS-149448
  • 7-(2-chloroethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
  • 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
  • 7-(2-Chloroethyl)-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
  • C2748
  • CS-0128738
  • FT-0635895
  • NS00015327
  • ST50298839
  • WLN: T56 BN DN FNVNVJ B2G F1 H1
  • 1H-Purine-2,6-dione,7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
  • 4-26-00-02346 (Beilstein Handbook Reference)
  • 7-(2-Chloroethyl)-1,3-dimethyl-(1H,3H)-purine-2,6-dione
  • AB00053252-09
  • A869362
  • AE-641/00846053
  • F470193
  • 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione
  • BRD-K52592505-001-02-4
  • I14-94190
  • Q27185964
  • 1H-Purine-2, 7-(2-chloroethyl)-3,7-dihydro-1,3-dimethyl-
  • 7-(2-Chloro-ethyl)-1,3-dimethyl-3,7-dihydro-purine-2,6-dione
  • 7-(2-chloroethyl)-1,3-dimethyl-1,3,7-trihydropurine-2,6-dione
  • 7-(2-Chloroethyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione #
  • 7-(2-Chloroethyl)theophylline =98.0% (by HPLC, titration analysis)
  • 227-553-2