Basic information
- CAS
314-35-2- Standard SMILES
CCN(CC)CCn1cnc2c1c(=O)n(C)c(=O)n2C- InChIKey
AWKLBIOQCIORSB-UHFFFAOYSA-N- Molecular formula
- C13H21N5O2
- Average molar mass
- 279.34 g/mol
- Monoisotopic mass
- 279.16952493
Overview
Etamiphylline is an oxopurine.
Names & identifiers
- Preferred name
- Etamiphyllin
- IUPAC
- 7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione
- English name
- etamiphyllin
- Molecular formula
- C13H21N5O2
- Molecular weight
- 279.34
Names & synonyms
EtamiphyllineEtamiphyllinCamphophylineMillophylline314-35-2EtamifilinaEtamifillinaEtamiphyllinumNSC-38348221A91BQ2S7-(beta-Diethylaminoethyl)theophylline7-[2-(diethylamino)ethyl]-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Show more names
R3588Brn 0291098Etamiphylline hydrochloride7-(Diethylaminoethyl)theophylline7-(2-Diethylaminoethyl)theophylline
ethamicyclinetamiphyllin monohydrochloride7-(2-(diethylamino)ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneRefChem:591348R03DA06206-244-6EtaminophyllineMilliphylline
Database identifiers
- CAS
314-35-2、59547-58-9- PubChem CID
- 28329
- DTXSID
DTXSID10861866- ChEMBL
CHEMBL2104264- ChEBI
CHEBI:135157- UNII
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 385
Experimental & physicochemical properties
DrugsPharmaceuticals -> Brochodilators
Human DrugsPharmaceuticals
Melting Point75 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 75 ° · 75°
- Boiling point
- 422.11 °C · 422.11°C (rough estimate)
- Density
- 1.1155 · 1.1155 (rough estimate)
- refractive index
- 1.605 · 1.6050 (estimate)
- pka
- 9.85 · 9.85±0.25(Predicted)
- FDA UNII
- 221 A91BQ2S · 221A91BQ2S
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Other Safety InformationIMAP assessments - 1H-Purine-2,6-dione, 7-[2-(diethylamino)ethyl]-3,7-dihydro-1,3-dimethyl-: Human health tier I assessment
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
MeSH Pharmacological ClassificationAgents that cause an increase in the expansion of a bronchus or bronchial tubes.
Uses & manufacturing
Use ClassificationPharmaceuticals
Upstream & downstream products
Upstream raw materials
Suppliers7 total
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…