Basic information
- Standard SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])c(Cl)c2)C(=O)C1N=Nc1cc(Nc2nc(F)nc(F)c2Cl)c(C)cc1S(=O)(=O)[O-].[K+].[K+]- InChIKey
HBLOCACVACHTGZ-UHFFFAOYSA-L- Molecular formula
- C21H13Cl2F2K2N7O7S2
- Average molar mass
- 726.6 g/mol
- Monoisotopic mass
- 724.89371292
Names & identifiers
- Preferred name
- Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonate
- IUPAC
- dipotassium;4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonate
- English name
- dipotassium 6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate
- Molecular formula
- C21H13Cl2F2K2N7O7S2
- Molecular weight
- 726.6000264
Names & synonyms
79135-94-7EINECS 279-095-8Dipotassium 6-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-4-((1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)toluene-3-sulphonateHBLOCACVACHTGZ-UHFFFAOYSA-LDTXSID901375841dipotassium 4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-[[1-(3-chloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-5-methylbenzenesulfonateNS00062205Benzenesulfonic acid, 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[2-[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, potassium salt (1:2)dipotassium 6-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-4-[[1-(3-chloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]toluene-3-sulphonate4-[(5-Chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]-5-methylbenzenesulfonic acid dipotassium saltBenzenesulfonic acid,4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-,dipotassium saltBenzenesulfonic acid, 4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-methyl-, dipotassium salt
Show more names
Benzenesulfonic acid,4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-[2-[1-(3-chloro-4-sulfophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-5-methyl-, potassium salt (1:2)
Database identifiers
- CAS
79135-94-7- PubChem CID
- 11970660
- DTXSID
DTXSID901375841- EC Number
- 279-095-8
- Nikkaji
- J319.239C
Properties
Computed structural properties
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,240
Chemistry & industry
Suppliers1 total
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
0 records
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