Basic information
- CAS
476479-98-8- Standard SMILES
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2cccc3ccccc23)CC1- InChIKey
WYFZOUATTKSAMC-UHFFFAOYSA-N- Molecular formula
- C22H24N6O2
- Average molar mass
- 404.5 g/mol
- Monoisotopic mass
- 404.19607403
Names & identifiers
- Preferred name
- 3-ME-8-(4-ME-1-Piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 3-methyl-8-(4-methylpiperazin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dione
- English name
- SALOR-INT L213926-1EA
- Molecular formula
- C22H24N6O2
- Molecular weight
- 404.46
Names & synonyms
476479-98-8RefChem:5029093-ME-8-(4-ME-1-Piperazinyl)-7-(1-naphthylmethyl)-3,7-dihydro-1H-purine-2,6-dione631-815-53-methyl-8-(4-methylpiperazin-1-yl)-7-(naphthalen-1-ylmethyl)-1H-purine-2,6(3H,7H)-dioneSALOR-INT L213926-1EA3-methyl-8-(4-methylpiperazin-1-yl)-7-[(naphthalen-1-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSMR000013530BAS 059144863-Methyl-8-(4-methyl-piperazin-1-yl)-7-naphthalen-1-ylmethyl-3,7-dihydro-purine-2,6-dioneMLS000034615MLS002539222
Show more names
3-methyl-8-(4-methylpiperazin-1-yl)-7-(naphthalen-1-ylmethyl)-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-8-(4-methyl-1-piperazinyl)-7-(1-naphthalenylmethyl)-
CHEMBL1536822HMS2349O10STK563802AKOS000580395AKOS0054897653-methyl-8-(4-methylpiperazin-1-yl)-7-(naphthalen-1-ylmethyl)purine-2,6-dioneUPCMLD0ENAT5825069:001ST50022674
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 73.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 666
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
IFLAB-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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