theophylline (synophylate) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

180.164

ALogP

4.13

Rule of 5

Yes

Rule of 3

No
Details
  • SMILES: CN1C2=C(N=CN2)C(=O)N(C)C1=O
  • InChIKey: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
    1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
  • Chirality: Achiral Molecule
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1200578   ChEMBL
theophylline sodium glycinate

CHEMBL1208646   ChEMBL
theophylline glycinate

CHEMBL13828   ChEMBL
oxatomide

CHEMBL190   ChEMBL
theophylline

CHEMBL2104089   ChEMBL
ambuphylline

CHEMBL2106660   ChEMBL
acefylline piperazine

CHEMBL2107591   ChEMBL
fenethylline hydrochloride

CHEMBL2111152   ChEMBL
fenethylline

CHEMBL70246   ChEMBL
acefylline

0I55128JYK   NCATS
theophylline anhydrous *

Theophylline   Wikipedia

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