Basic information
- CAS
10001-43-1- Standard SMILES
Cn1c(=O)c2c(ncn2CCNCc2cccnc2)n(C)c1=O- InChIKey
CDHVRXOLGDSJGX-UHFFFAOYSA-N- Molecular formula
- C15H18N6O2
- Average molar mass
- 314.34 g/mol
- Monoisotopic mass
- 314.14912384
Overview
Pimefylline is an oxopurine.
Names & identifiers
- Preferred name
- Pimefyllin
- IUPAC
- 1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione
- English name
- Pimefylline
- Molecular formula
- C15H18N6O2
- Molecular weight
- 314.347
Names & synonyms
Pimefyllin7-(2-(3-pyridylmethylamino)-ethyl)theophyllineRefChem:174275Pimefylline10001-43-1Pimefylline [INN]PimefilinaPimephylline1,3-dimethyl-7-[2-(pyridin-3-ylmethylamino)ethyl]purine-2,6-dione8680B5Y37APimefyllinumPimefilina [INN-Spanish]
Show more names
ES-7711,3-Dimethyl-7-[2-[(pyridin-3-yl)methylamino]ethyl]-1H-purine-2,6(3H,7H)-dione3,7-Dihydro-1,3-dimethyl-7-[2-[(3-pyridylmethyl)amino]ethyl]-1H-purine-2,6-dione
Pimefyllinum [INN-Latin]ES 771BRN 11674387-(beta-3'-Picolylaminoethyl)theophyllineUNII-8680B5Y37A7-(2-((3-Pyridylmethyl)amino)ethyl)theophyllinePIMEFYLLINE [MI]3,7-Dihydro-1,3-dimethyl-7-(2-((3-pyridinylmethyl)amino)ethyl)-1H-purine-2,6-dione
Database identifiers
- CAS
10001-43-1- PubChem CID
- 65597
- DTXSID
DTXSID30142861- ChEMBL
CHEMBL2105195- ChEBI
CHEBI:135346- UNII
- 8680B5Y37A
- EC Number
- 600-017-9
- Nikkaji
- J8.972I
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 459
Physicochemical properties
- Melting point
- 111 · 111-112°
- FDA UNII
- 8680 B5Y37A · 8680B5Y37A
- Toxicity
- 50 in · LD50 in mice (mg/kg): 1900 orally, 402 i.v. (Suter, Zutter, 1973)
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
- Toxicity
- LD50 in mice (mg/kg): 1900 orally, 402 i.v. (Suter, Zutter, 1973)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers5 total
2A PharmaChem USA[email protected]
Leancare Ltd.[email protected]
Lanospharma Laboratories Co.,Ltd13440048448 · [email protected]
Shanghai New Union Textra Import & Export Co., Ltd.[email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: Pimefylline is an oxopurine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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