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Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)

HCID 173286
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
74499-55-1
Standard SMILES
Cc1cc(N=Nc2c(NCCc3ccc(S(=O)(=O)[O-])cc3)nc(NCCO)c(C#N)c2C)c(C)cc1N=Nc1cccc(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIKey
ZSSYEBOSOMQARW-UHFFFAOYSA-L
Molecular formula
C31H30N8Na2O7S2
Average molar mass
736.7 g/mol
Monoisotopic mass
736.14742624

Names & identifiers

Preferred name
Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)
IUPAC
disodium;3-[[4-[[5-cyano-6-(2-hydroxyethylamino)-4-methyl-2-[2-(4-sulfonatophenyl)ethylamino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzenesulfonate
English name
Benzenesulfonic acid,3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-,disodium salt
Molecular formula
C31H32N8O7S2.2Na
Molecular weight
738.76

Names & synonyms

74499-55-1DTXSID60890348Benzenesulfonic acid, 3-(2-(4-(2-(5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:2)Benzenesulfonic acid, 3-((4-((5-cyano-6-((2-hydroxyethyl)amino)-4-methyl-2-((2-(4-sulfophenyl)ethyl)amino)-3-pyridinyl)azo)-2,5-dimethylphenyl)azo)-, disodium saltBenzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium saltBenzenesulfonic acid, 3-[2-[4-[2-[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:2)RefChem:117896DTXCID601079335616-103-4ZSSYEBOSOMQARW-UHFFFAOYSA-LDisodium 3-({4-[(5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-{[2-(4-sulfonatophenyl)ethyl]amino}pyridin-3-yl)diazenyl]-2,5-dimethylphenyl}diazenyl)benzene-1-sulfonate5-dimethylphenyl]azo]-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]- disodium
Show more names
Benzenesulfonic acid,3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-,disodium salt

Database identifiers

CAS
74499-55-1
PubChem CID
173286
DTXSID
DTXSID60890348
EC Number
616-103-4
Nikkaji
J453.440I

Properties

Computed structural properties

Topological polar surface area
262 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
15
Rotatable bonds
11
Heavy atoms
50
Formal charge
0
Complexity
1,330

Physicochemical properties

EPA Substance Registry System
3 · Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium salt (74499-55-1)
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.

Hazard information

Regulatory InformationChemical: Benzenesulfonic acid, 3-[[4-[[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]azo]-2,5-dimethylphenyl]azo]-, disodium salt

Safety data

tsca
TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenesulfonic acid, 3-[2-[4-[2-[5-cyano-6-[(2-hydroxyethyl)amino]-4-methyl-2-[[2-(4-sulfophenyl)ethyl]amino]-3-pyridinyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:2): ACTIVE

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Compound notes

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