2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt

HCID 175103

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Basic information

CAS: 72639-36-2
Standard SMILES: Cc1nc(S(C)(=O)=O)nc(Nc2cc(S(=O)(=O)[O-])cc3cc(S(=O)(=O)[O-])c(N=Nc4ccccc4S(=O)(=O)[O-])c(O)c23)c1Cl.[K+].[K+].[Na+]
InChIKey: NMBBANXIAHXMML-IKNCFTKNSA-H
Molecular formula: C22H15ClK2N5NaO12S4
Average molar mass: 806.3 g/mol
Monoisotopic mass: 804.8460406

Overview

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Names & identifiers

Preferred name: 2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt
IUPAC: dipotassium;sodium;5-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
English name: 5-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, potassium sodium salt
Molecular formula: C44H30Cl2K3N10Na3O24S8
Molecular weight: 1596.45181

Names & synonyms

EINECS 276-754-172639-36-22,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, potassium sodium salt2,7-Naphthalenedisulfonic acid, 5-((5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, potassium sodium salt (1:?:?)4-((5-Chloro-4-methyl-2-(methylsulfonyl)-6-pyrimidyl)amino)-5-hydroxy-6-((2-sulfophenyl)azo)-2,7-naphthalenedisulfonic acid, sodium, potassium saltNS001212845-((5-Chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl)amino)-4-hydroxy-3-((2-sulphophenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt5-[[5-chloro-6-methyl-2-(methylsulphonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2,7-disulphonic acid, potassium sodium salt2,7-Naphthalenedisulfonicacid,5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-,potassium sodium salt (1:?:?)

Database identifiers

CAS: 72639-36-2
PubChem CID: 175103
EC Number: 276-754-1

Properties

Computed structural properties

Topological polar surface area: 322 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 17
Rotatable bonds: 5
Heavy atoms: 47
Formal charge: 0
Complexity: 1,470

Physicochemical properties

EPA Substance Registry System: 2 · 2,7-Naphthalenedisulfonic acid, 5-[[5-chloro-6-methyl-2-(methylsulfonyl)-4-pyrimidinyl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, potassium sodium salt (72639-36-2)
TSCA: TSCA listed

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

tsca: TSCA listed

Chemistry & industry

Suppliers1 total

湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]

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