8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
332904-84-4- Standard SMILES
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Cl)cc1- InChIKey
IGPGWMHEFXUIDV-UHFFFAOYSA-N- Molecular formula
- C23H24ClN5O4
- Average molar mass
- 469.9 g/mol
- Monoisotopic mass
- 469.151682
Names & identifiers
- Preferred name
- 8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[benzyl(methyl)amino]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
- English name
- SALOR-INT L249475-1EA
- Molecular formula
- C23H24ClN5O4
- Molecular weight
- 469.92
Names & synonyms
332904-84-48-[benzyl(methyl)amino]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione8-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dioneRefChem:547427651-078-38-(Benzyl(methyl)amino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-3-methyl-1H-purine-2,6(3H,7H)-dione8-[benzyl(methyl)amino]-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneOprea1_119112AKOS024408698SALOR-INT L249475-1EA1H-Purine-2,6-dione, 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3,7-dihydro-3-methyl-8-[methyl(phenylmethyl)amino]-
Database identifiers
- CAS
332904-84-4- PubChem CID
- 4087336
- EC Number
- 651-078-3
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 319 · H319-H315-H301-H335
- 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
- H319-H315-H301-H335
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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