Basic information
- CAS
65029-11-0- Standard SMILES
CCC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C)nc21- InChIKey
MTBUJUHRXVGLEF-UHFFFAOYSA-N- Molecular formula
- C12H18N4O2
- Average molar mass
- 250.3 g/mol
- Monoisotopic mass
- 250.14297583
Names & identifiers
- Preferred name
- Verofylline
- IUPAC
- 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
- English name
- Verofylline
- Molecular formula
- C12H18N4O2
- Molecular weight
- 250.3
Names & synonyms
VEROFYLLINE66172-75-6VerofilinaVerofyllinumCK-0383CK 03831J8O1GT31U3,7-Dihydro-1,8-dimethyl-3-(2-methylbutyl)-1H-purine-2,6-dione(+-)-1,8-Dimethyl-3-(2-methybutyl)xanthineDTXSID308672091H-Purine-2,6-dione, 3,7-dihydro-1,8-dimethyl-3-(2-methylbutyl)-, (+-)-RefChem:933988
Show more names
VerofyllinVerophylline1H-Purine-2,6-dione, 3,9-dihydro-1,8-dimethyl-3-(2-methylbutyl)-
DTXCID208154111,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione1,8-dimethyl-3-(2-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione65029-11-01,8-Dimethyl-3-(2-methyl-1-butyl)xanthineVerofilina [INN-Spanish]Verofylline [USAN:INN]Verofyllinum [INN-Latin]
Database identifiers
- CAS
65029-11-0、66172-75-6- PubChem CID
- 47845
- DTXSID
DTXSID30867209- ChEMBL
CHEMBL2105599- UNII
- 1J8O1GT31U
- Nikkaji
- J23.261K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 360
Physicochemical properties
- FDA UNII
- 1 J8O1GT31U · 1J8O1GT31U
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H360-H362-H370-H372
- Precautionary statements
- 501 · P501-P263-P260-P270-P202-P201-P264-P280-P308+P311-P301+P310+P330-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H360-H362-H370-H372
- Precautionary statements
- P501-P263-P260-P270-P202-P201-P264-P280-P308+P311-P301+P310+P330-P405
Chemistry & industry
Applications
UsesBronchodilator; antiasthmatic.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
武汉誉祥医药科技有限公司13971275651 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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