Basic information
- CAS
606958-26-3- Standard SMILES
COCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cccc(C)c3nc21- InChIKey
MSZMRTYVGVQCLN-UHFFFAOYSA-N- Molecular formula
- C21H19ClN4O4S
- Average molar mass
- 458.9 g/mol
- Monoisotopic mass
- 458.081554
Names & identifiers
- Preferred name
- 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-one
- IUPAC
- 5-(4-chlorophenyl)sulfonyl-6-imino-7-(2-methoxyethyl)-11-methyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaen-2-one
- English name
- SALOR-INT L424641-1EA
- Molecular formula
- C21H19ClN4O4S
- Molecular weight
- 458.92
Names & synonyms
606958-26-33-[(4-CHLOROPHENYL)SULFONYL]-2-IMINO-1-(2-METHOXYETHYL)-10-METHYL-1,2-DIHYDRO-5H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDIN-5-ONE3-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido(1,2-A:2,3-D)pyrimidin-5-oneRefChem:488611645-353-73-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-oneOprea1_622366STK813981AKOS001654787Z577837583-(4-chlorobenzene-1-sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one3-[(4-chlorophenyl)sulfonyl]-2-imino-1-(2-methoxyethyl)-10-methyl-1,2-dihydro-5H-dipyrido[1,2-a:2',3'-d]pyrimidin-5-one
Show more names
SALOR-INT L424641-1EA5H-Dipyrido[1,2-a:2',3'-d]pyrimidin-5-one, 3-[(4-chlorophenyl)sulfonyl]-1,2-dihydro-2-imino-1-(2-methoxyethyl)-10-methyl-
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 1,070
Physicochemical properties
- Boiling point
- 597.1 · 597.1±60.0 °C(Predicted)
- Density
- 1.47 · 1.47±0.1 g/cm3(Predicted)
- pka
- 6.12 · 6.12±0.60(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- 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
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Suppliers5 total
PHARMEKS Ltd.[email protected]
Interbioscreen Ltd.[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
OTAVA-BB[email protected]
SIGMAALDRICH—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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