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Basic information
- CAS
25985-53-9- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)NC1=NN(c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)C(=O)C1- InChIKey
UYEZDWWGFYJUOF-UHFFFAOYSA-N- Molecular formula
- C33H47N3O6S
- Average molar mass
- 613.821 g/mol
- Monoisotopic mass
- 613.31855722
Names & identifiers
- Preferred name
- 5-(4,5-Dihydro-5-oxo-3-((1-oxooctadecyl)amino)-1H-pyrazol-1-yl)-2-phenoxybenzenesulphonic acid
- IUPAC
- 5-[3-(Octadecanoylamino)-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-phenoxybenzene-1-sulfonic acid
- English name
- 5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acid
- Molecular formula
- C33H47N3O6S
- Molecular weight
- 613.81
Names & synonyms
5-(dihydrooxo((oxooctadecyl)amino)pyrazol-yl)-2-P5-(dihydrooxo((oxooctadecyl)amino)pyrazolyl)-2-phenoxybenz1-(3-SULFO-4-PHENOXY)-PHENYL-3-OCTADECANAMIDO-PYRAZOLINE-5- ONE5-(DIHYDROOXO((OXOOCTADECYL)AMINO)PYRAZO L-YL)-2-PHENOXYBENZENESULFONIC ACID, 97%5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxybenzenesulphonic acid5-[4,5-Dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-benzenesulfonic acidBenzenesulfonic acid, 5-[4,5-dihydro-5-oxo-3-[(1-oxooctadecyl)amino]-1H-pyrazol-1-yl]-2-phenoxy-
Database identifiers
- CAS
25985-53-9- PubChem CID
- 117697
- DTXSID
DTXSID50180649- ChEMBL
CHEMBL2349246- EC Number
- 247-390-0
- Nikkaji
- J308.365I
Properties
Physicochemical properties
- Melting point
- 237 · 237-240 °C(lit.)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
- Hazard Codes
- C
- Risk Statements
- 34 · 34
- Safety Statements
- 22 · 22-26-27-36/37/39-45
- RIDADR
- 2585 · UN 2585 8/PG 3
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- UN 2585 8/PG 3
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 22-26-27-36/37/39-45
- Hazard statements
- H314
- Precautionary statements
- P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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