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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 65599Generated: October 23, 2026

Lomifylline

Cervilane · LoMifyllin · Lomifilline · LOMIFYLLINE · Lomifylline Impurity · LOMIFYLLINE USP/EP/BP · 7-(5-Oxohexyl)theophylline · 7-(5-Oxohexyl)-1,3-diMethylxanthine

https://huagongshe.com/en/chemical/65599

Lomifylline molecular structure

Identifiers & Physical Properties

CAS No.10226-54-7
Molecular formulaC13H18N4O3
Average molar mass278.31 g/mol
Monoisotopic mass278.13789044 g/mol
SMILESCC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C
InChIKeyXBEDAMVJWVPVDS-UHFFFAOYSA-N
PubChem CID65599
ChEMBLCHEMBL311948
ChEBICHEBI:94702
EC No.233-547-0
DTXSIDDTXSID10144848

Chemical & Physical Properties

XLogP-0.1
Topological polar surface area75.5
Hydrogen bond donors0
Hydrogen bond acceptors4
Rotatable bonds5
Heavy atoms20
Formal charge0
Complexity426
Melting point75-77°C
Boiling point525.3±56.0 °C(Predicted)
Density1.31±0.1 g/cm3(Predicted)
Storage conditions2-8°C
SolubilityChloroform (Slightly), Methanol (Slightly)
Physical stateSolid
pKa (acidity coefficient)0.56±0.70(Predicted)
ColorWhite to Off-White
FDA UNIINA91GV8GDJ
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302
GHS precautionary statementsP264-P270-P301+P312-P330-P501

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.WarningH302 (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 Classes and CategoriesAcute Tox. 4 (50%)
Signal wordWarning
GHS pictogramGHS07
GHS hazard statementsH302
GHS precautionary statementsP264-P270-P301+P312-P330-P501

Applications & Uses

Uses

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