Basic information
- CAS
609794-74-3- Standard SMILES
CCOc1cc(C2C(C(=O)OCCOC)=C(C)N=C3SCCC(=O)N32)ccc1OC(C)=O- InChIKey
BFKIFIZWGVJEAP-UHFFFAOYSA-N- Molecular formula
- C22H26N2O7S
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.14607235
Names & identifiers
- Preferred name
- 2-Methoxyethyl 6-(4-(acetyloxy)-3-ethoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
- IUPAC
- 2-methoxyethyl 6-(4-acetyloxy-3-ethoxyphenyl)-8-methyl-4-oxo-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
Names & synonyms
609794-74-32-methoxyethyl 6-[4-(acetyloxy)-3-ethoxyphenyl]-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate2-Methoxyethyl 6-(4-(acetyloxy)-3-ethoxyphenyl)-8-methyl-4-oxo-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylateRefChem:474635647-051-0AKOS001685334AKOS016067691
Database identifiers
- CAS
609794-74-3- PubChem CID
- 3693396
- EC Number
- 647-051-0
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 797
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, 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. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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