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Basic information
- CAS
801311-41-1- Standard SMILES
COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)O)c4)cc23)c1- InChIKey
SZZXZRJNNBZBOV-UHFFFAOYSA-N- Molecular formula
- C25H21N3O6S
- Average molar mass
- 491.525 g/mol
- Monoisotopic mass
- 491.11510639
Names & identifiers
- Preferred name
- 3-[[3-(Aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]benzoic acid
- IUPAC
- 3-[3-Carbamoyl-4-(3-methoxyanilino)-8-methylquinoline-6-sulfonyl]benzoic acid
- English name
- 3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoic acid
- Molecular formula
- C25H21N3O6S
- Molecular weight
- 491.52
Names & synonyms
Methylquinolin-6-ylsulfonyl)benzoic acid3-(3-carbaMoyl-4-(3-MethoxyphenylaMino)-8-Methylquinolin-6-ylsulfonyl)benzoic acid3-[[3-Carbamoyl-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolyl]sulfonyl]benzoic AcidBenzoic acid, 3-[[3-(aminocarbonyl)-4-[(3-methoxyphenyl)amino]-8-methyl-6-quinolinyl]sulfonyl]-
Database identifiers
- CAS
801311-41-1- PubChem CID
- 57763288
- DTXSID
DTXSID501119861
Properties
Physicochemical properties
- Boiling point
- 792.1 · 792.1±60.0 °C(Predicted)
- Density
- 1.434 · 1.434±0.06 g/cm3(Predicted)
- pka
- 3.36 · 3.36±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers4 total
斯派螺（武汉）药物研发有限公司[email protected]
韶远科技(上海)有限公司4000665055 · [email protected]
Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
上海皓元医药股份有限公司021-58950125 · [email protected]
Related reactions
5 records
Compound notes
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