HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

1,3-benzenedisulfonic acid, 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)-, potassium sodium salt

HCID 16205373
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
83763-55-7
Standard SMILES
Cc1nc(F)nc(Nc2ccc(N=Nc3ccc(S(=O)(=O)[O-])cc3S(=O)(=O)[O-])c(NC(N)=O)c2)c1Cl.[K+].[Na+]
InChIKey
SFGDUYULGSBLHA-YOYNBWDYSA-L
Molecular formula
C18H13ClFKN7NaO7S2
Average molar mass
620 g/mol
Monoisotopic mass
618.9525197

Names & identifiers

Preferred name
1,3-benzenedisulfonic acid, 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)-, potassium sodium salt
IUPAC
potassium;sodium;4-[[2-(carbamoylamino)-4-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]phenyl]diazenyl]benzene-1,3-disulfonate
English name
potassium sodium 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidyl)amino]phenyl]azo]benzene-1,3-disulphonate
Molecular formula
C18H13ClFKN7NaO7S2
Molecular weight
620.0079932

Names & synonyms

1,3-Benzenedisulfonic acid, 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)phenyl)azo)-, potassium sodium salt1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]phenyl]azo]-, potassium sodium saltRefChem:41380283763-55-7EINECS 280-742-1Potassium sodium 4-((2-((aminocarbonyl)amino)-4-((5-chloro-2-fluoro-6-methyl-4-pyrimidyl)amino)phenyl)azo)benzene-1,3-disulphonatepotassium sodium 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidyl)amino]phenyl]azo]benzene-1,3-disulphonate1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino] -4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino ]phenyl]azo]-, potassium sodium salt1,3-Benzenedisulfonicacid,4-[2-[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]phenyl]diazenyl]-,potassium sodium salt (1:?:?)

Database identifiers

CAS
83763-55-7
PubChem CID
16205373
EC Number
280-742-1

Properties

Computed structural properties

Topological polar surface area
249 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
13
Rotatable bonds
5
Heavy atoms
38
Formal charge
0
Complexity
999

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Hazard information

Regulatory InformationChemical: 1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]phenyl]azo]-, potassium sodium salt
Other Safety InformationIMAP assessments - 1,3-Benzenedisulfonic acid, 4-[[2-[(aminocarbonyl)amino]-4-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]phenyl]azo]-, potassium sodium salt: Human health tier I assessment

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
New reaction record

No reaction records under the current filter.

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes