Basic information
- CAS
5634-38-8- Standard SMILES
COc1ccccc1OCC(O)CO.Cn1c(=O)c2[nH]cnc2n(C)c1=O- InChIKey
PVKUHCBHOUMGJN-UHFFFAOYSA-N- Molecular formula
- C17H22N4O6
- Average molar mass
- 378.4 g/mol
- Monoisotopic mass
- 378.15393443
Names & identifiers
- Preferred name
- Guaithylline
- IUPAC
- 1,3-dimethyl-7H-purine-2,6-dione;3-(2-methoxyphenoxy)propane-1,2-diol
- English name
- guaifylline
- Molecular formula
- C10H14O4.C7H8N4O2
- Molecular weight
- 378.383
Names & synonyms
GuaithyllineGuaifyllineEclabronGuaithylline [USAN]Guaifylline (INN)Guaifylline [INN]Guaifenesin / theophyllineGuaifilina [INN-Spanish]Guaifyllinum [INN-Latin]UNII-23LFU6H8JD23LFU6H8JDGuaithylline (USAN)
Show more names
EINECS 227-078-0Guaifilina (INN-Spanish)Guaifyllinum (INN-Latin)RefChem:144610Guaifyllinum5634-38-8GuaifilinaSCHEMBL20358
Database identifiers
- CAS
5634-38-8- PubChem CID
- 68637
- UNII
- 23LFU6H8JD
- EC Number
- 227-078-0
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- FDA UNII
- 23 LFU6H8JD · 23LFU6H8JD
Chemistry & industry
Applications
UsesBronchodilator; expectorant.
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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