Basic information
- CAS
332384-51-7- Standard SMILES
Cn1c(=O)[nH]c(=O)c2c1nc1n2CC(COc2ccc(Cl)cc2)O1- InChIKey
YUKBQZBKWAMWGK-UHFFFAOYSA-N- Molecular formula
- C15H13ClN4O4
- Average molar mass
- 348.74 g/mol
- Monoisotopic mass
- 348.0625326
Names & identifiers
- Preferred name
- 7-((4-CL-Phenoxy)ME)-1-ME-6,7-dihydro(1,3)oxazolo(2,3-F)purine-2,4(1H,3H)-dione
- IUPAC
- 7-[(4-chlorophenoxy)methyl]-4-methyl-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Names & synonyms
332384-51-77-((4-CL-PHENOXY)ME)-1-ME-6,7-DIHYDRO(1,3)OXAZOLO(2,3-F)PURINE-2,4(1H,3H)-DIONERefChem:544960649-961-37-{[(4-chlorophenyl)oxy]methyl}-1-methyl-6,7-dihydro[1,3]oxazolo[2,3-f]purine-2,4(1H,3H)-dioneOprea1_349941Oprea1_587132AKOS000580627AKOS024408673AG-690/14009242SR-01000316532SR-01000316532-1
Database identifiers
- CAS
332384-51-7- PubChem CID
- 4601487
- EC Number
- 649-961-3
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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