Lomifylline

HCID 65599CAS 10226-54-7
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIKey
XBEDAMVJWVPVDS-UHFFFAOYSA-N
Molecular formula
C13H18N4O3
Average molar mass
278.31 g/mol
Monoisotopic mass
278.13789044

Overview

1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione is an oxopurine.

Names & identifiers

Preferred name
Lomifylline
IUPAC
1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione
English name
LOMIFYLLINE
Molecular formula
C13H18N4O3
Molecular weight
278.31

Names & synonyms

Lomifylline10226-54-7LomifilinaLomifyllinum7-(5-Oxohexyl)theophyllineNA91GV8GDJDTXSID101448483,7-Dihydro-1,3-dimethyl-7-(5-oxohexyl)-1H-purine-2,6-dioneRefChem:800024DTXCID6067339233-547-01,3-Dimethyl-7-(5-oxohexyl)-1H-purine-2,6(3H,7H)-dione
Show more names
CervilaneLoMifyllinLomifillineLomifylline ImpurityLOMIFYLLINE USP/EP/BP7-(5-Oxohexyl)-1,3-diMethylxanthine1,3-DiMethyl-7-(5-oxohexyl)xanthine
Lomifylline [INN]1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione1,3-dimethyl-7-(5-oxohexyl)-3,7-dihydro-1H-purine-2,6-dioneSMR000466379UNII-NA91GV8GDJLomifilina [INN-Spanish]Lomifyllinum [INN-Latin]EINECS 233-547-0

Database identifiers

CAS
10226-54-7
PubChem CID
65599
DTXSID
DTXSID10144848
ChEMBL
CHEMBL311948
ChEBI
CHEBI:94702
UNII
NA91GV8GDJ
EC Number
233-547-0
Nikkaji
J10.481G

Properties

Computed structural properties

XLogP
-0.1
Topological polar surface area
75.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

Physicochemical properties

Melting point
75 · 75-77°C
Boiling point
525.3 · 525.3±56.0 °C(Predicted)
Density
1.31 · 1.31±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
solubility
Chloroform (Slightly), Methanol (Slightly)
form
Solid

Safety & regulation

GHS classification

GHS Classification · 5 items

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302
Precautionary statements
P264-P270-P301+P312-P330-P501

Chemistry & industry

Applications

UsesLomifylline is a methylxanthine analogue which induces Ca2+-release from intracellular stores via the ryanodine receptor.

Upstream & downstream products

Suppliers24 total

成都健腾生物技术有限公司028-85159085 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳市星跃生物科技有限公司18124513697; 18124513697 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]

Additional notes

DefinitionChEBI: 1,3-dimethyl-7-(5-oxohexyl)purine-2,6-dione is an oxopurine.

Related reactions

7 records
New reaction record

Linked notes

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