8-[Benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Basic information
- CAS
477333-75-8- Standard SMILES
CN(Cc1ccccc1)c1nc2c(c(=O)[nH]c(=O)n2C)n1CC(O)COc1ccc(Br)cc1- InChIKey
MXYYWCNXBKZDAW-UHFFFAOYSA-N- Molecular formula
- C23H24BrN5O4
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 513.10117
Names & identifiers
- Preferred name
- 8-[Benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-[benzyl(methyl)amino]-7-[3-(4-bromophenoxy)-2-hydroxypropyl]-3-methylpurine-2,6-dione
- English name
- SALOR-INT L249165-1EA
- Molecular formula
- C23H24BrN5O4
- Molecular weight
- 514.37
Names & synonyms
8-[BENZYL(METHYL)AMINO]-7-[3-(4-BROMOPHENOXY)-2-HYDROXYPROPYL]-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE8-(BENZYL(METHYL)AMINO)-7-(3-(4-BROMOPHENOXY)-2-HYDROXYPROPYL)-3-METHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONERefChem:547426477333-75-8650-841-8AKOS024408690SALOR-INT L249165-1EA
Database identifiers
- CAS
477333-75-8- PubChem CID
- 4092406
- EC Number
- 650-841-8
Properties
Computed structural properties
- XLogP
- 3
- 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
- 315 · H315-H319-H301-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-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
- H315-H319-H301-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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