Basic information
- CAS
2016-63-9- Standard SMILES
CCN(CCO)CCn1c(Cc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C- InChIKey
VVUYEFBRTFASAH-UHFFFAOYSA-N- Molecular formula
- C20H27N5O3
- Average molar mass
- 385.5 g/mol
- Monoisotopic mass
- 385.21138974
Overview
Bamifylline is an oxopurine.
Names & identifiers
- Preferred name
- Bamifylline
- IUPAC
- 8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
- English name
- BAMIFYLLINE
- Molecular formula
- C20H27N5O3
- Molecular weight
- 385.46
Names & synonyms
BAMIFYLLINE2016-63-9BamiphyllineBenzetamophyllineBamifilinaBamifyllinumAC-3810 FREE BASEZTY15D026HBAX-2739Z FREE BASEDTXSID0022642bamifillinaRefChem:116414
Show more names
8102CB8102 CBCB-8102Bax-2739Z8-BENZYL-7-(2-(HYDROXYETHYL)AMINO)ETHYL)THEOPHYLLINE8-benzyl-7-(2-(N-ethyl-2-hydroxyethylamino)ethyl)theophylline
DTXCID402642R03DA088'-Benzyl-7-2-(ethyl(2-hydroxyethyl)amino)ethyltheophylline8-benzyl-7-(2-(ethyl(2-hydroxyethyl)amino)ethyl)-1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione8-benzyl-7-[2-[ethyl(2-hydroxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dioneBamifyllinBamifylline (INN)BAMIFYLLINE [INN]
Database identifiers
- CAS
2016-63-9- PubChem CID
- 16229
- DTXSID
DTXSID0022642- ChEMBL
CHEMBL2110760- ChEBI
CHEBI:135605- UNII
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 554
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Brochodilators
Pharmaceuticals -> Listed in ZINC15
Human DrugsPharmaceuticals
Physicochemical properties
- Melting point
- 80 · 80-80.5°
- Boiling point
- 619 · 619.0±65.0 °C(Predicted)
- Density
- 1.25 · 1.25
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Very Slightly), DMSO (Slightly), Methanol (Slightly)
- pka
- 14.73 · 14.73±0.10(Predicted)
- form
- Solid
- color
- White to Pale Brown
- Stability
- Hygroscopic
- FDA UNII
- 15 D026H · ZTY15D026H
- ATC code
- 3 DA08 · R03DA08
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
ATC Code
R - Respiratory system
QR - Respiratory system
Mechanism of ActionBamiphylline is a potent, selective adenosine A1 receptor antagonist, producing bronchodilatory effects.
MeSH Pharmacological Classification
Compounds capable of relieving pain without the loss of CONSCIOUSNESS.
Agents that cause an increase in the expansion of a bronchus or bronchial tubes.
Drugs used to cause dilation of the blood vessels.
Uses & manufacturing
Use ClassificationPharmaceuticals
Applications
UsesBronchodilator.
UsesBamifylline is a drug of the xanthine chemical class which acts as a selective adenosine A1 receptor antagonist.
Upstream & downstream products
Upstream raw materials
Suppliers23 total
LGM Pharma1-(800)-881-8210 · [email protected]
武汉易泰科技有限公司上海分公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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