Basic information
- CAS
609794-31-2- Standard SMILES
COCCOC(=O)C1=C(C)N=C2SCCC(=O)N2C1c1cc(OC)c(OC)c(OC)c1- InChIKey
RKWRJVROIXMPLP-UHFFFAOYSA-N- Molecular formula
- C21H26N2O7S
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.14607235
Names & identifiers
- Preferred name
- 2-Methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylate
- IUPAC
- 2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate
- English name
- SALOR-INT L432474-1EA
- Molecular formula
- C21H26N2O7S
- Molecular weight
- 450.51
Names & synonyms
2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate609794-31-22-Methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H,6H-pyrimido(2,1-B)(1,3)thiazine-7-carboxylateRefChem:474642645-812-1STK812993AKOS001685076AKOS016068071AS-871/41899153SALOR-INT L432474-1EA2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-3,6-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carboxylate2-methoxyethyl 8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carboxylate
Show more names
2H,6H-Pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid, 3,4-dihydro-8-methyl-4-oxo-6-(3,4,5-trimethoxyphenyl)-, 2-methoxyethyl ester
Database identifiers
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 727
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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