8-(2-Methoxyethoxy)-1,3-dimethyl-7-(2-PH-ethyl)-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
476480-65-6- Standard SMILES
COCCOc1nc2c(c(=O)n(C)c(=O)n2C)n1CCc1ccccc1- InChIKey
JGCRAUHKXJYZCD-UHFFFAOYSA-N- Molecular formula
- C18H22N4O4
- Average molar mass
- 358.4 g/mol
- Monoisotopic mass
- 358.1641052
Names & identifiers
- Preferred name
- 8-(2-Methoxyethoxy)-1,3-dimethyl-7-(2-PH-ethyl)-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dione
- English name
- SALOR-INT L214795-1EA
- Molecular formula
- C18H22N4O4
- Molecular weight
- 358.39
Names & synonyms
476480-65-6RefChem:5473578-(2-Methoxyethoxy)-1,3-dimethyl-7-(2-PH-ethyl)-3,7-dihydro-1H-purine-2,6-dione631-848-58-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-1H-purine-2,6(3H,7H)-dione8-(2-Methoxy-ethoxy)-1,3-dimethyl-7-phenethyl-3,7-dihydro-purine-2,6-dioneMLS0000346008-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dioneSMR0000135328-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione8-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)purine-2,6-dioneBAS 05914578
Show more names
SALOR-INT L214795-1EA8-(2-methoxyethoxy)-1,3-dimethyl-7-phenethyl-3,7-dihydro-1H-purine-2,6-dione1H-Purine-2,6-dione, 3,7-dihydro-8-(2-methoxyethoxy)-1,3-dimethyl-7-(2-phenylethyl)-
MLS002539223cid_654020CHEMBL1399016BDBM73230HMS2343K21STL342238AKOS000580251CCG-113960
Database identifiers
- CAS
476480-65-6- PubChem CID
- 654020
- ChEMBL
CHEMBL1399016- EC Number
- 631-848-5
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 511
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H335-H319-H315
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-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
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H335-H319-H315
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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