HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 136086355Generated: November 1, 2026
2,7-naphthalenedisulfonic acid, 4-amino-3,6-bis((5-((4-chloro-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-5-hydroxy-, hexasodium salt
4-Amino-3,6-bis[[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-2,7-naphthalene disulfonic acid hexasodium salt · 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[[4-chloro- 6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino ]-2-sulfophenyl]azo]-5-hydroxy-, hexasodium salt
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Identifiers & Physical Properties
| CAS No. | 115099-61-1 |
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| Molecular formula | C40H23Cl2N15Na6O19S6 |
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| Average molar mass | 1,418.9 g/mol |
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| Monoisotopic mass | 1,416.8382117 g/mol |
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| SMILES | Nc1c(N=Nc2cc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)[O-])cc4)n3)ccc2S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3cc(Nc4nc(Cl)nc(Nc5ccc(S(=O)(=O)[O-])cc5)n4)ccc3S(=O)(=O)[O-])c(O)c12.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
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| InChIKey | BLMQHDUMQLRUIO-UHFFFAOYSA-H |
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| PubChem CID | 136086355 |
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| EC No. | 601-345-5 |
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| DTXSID | DTXSID001359775 |
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Chemical & Physical Properties
| Topological polar surface area | 615 |
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| Hydrogen bond donors | 6 |
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| Hydrogen bond acceptors | 34 |
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| Rotatable bonds | 12 |
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| Heavy atoms | 88 |
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| Formal charge | 0 |
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| Complexity | 2,880 |
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Safety & Regulations
| Regulatory information | Chemical: 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, hexasodium salt |
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| Other safety information | IMAP assessments - 2,7-Naphthalenedisulfonic acid, 4-amino-3,6-bis[[5-[[4-chloro-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-5-hydroxy-, hexasodium salt: Human health tier I assessment |
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