DTXSID5063497

disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate

CAS: 4499-01-8

Molecular Formula	`C23H12Cl2N6Na2O8S2`
Molecular Weight	681.4 g/mol
Topological Polar Surface Area	254.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	14
Rotatable Bonds	4
Exact Mass	679.93304
Heavy Atoms	43
Complexity	1200.0

Chemical Identifiers

CAS Number	4499-01-8
SMILES	`C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])N.[Na+].[Na+]`
InChIKey	`DHHMYWVFMSHEIP-UHFFFAOYSA-L`

📖 Product Overview

DTXSID5063497 (CAS: 4499-01-8) is a chemical compound with molecular formula C23H12Cl2N6Na2O8S2 and molecular weight 681.4 g/mol. Its IUPAC systematic name is disodium;1-amino-4-[3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-sulfonatoanilino]-9,10-dioxoanthracene-2-sulfonate. Topological Polar Surface Area 254.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 14 Rotatable Bonds 4 Exact Mass 679.93304 Heavy Atoms 43 Complexity 1200.0 InChI Key: DHHMYWVFMSHEIP-UHFFFAOYSA-L. SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC(=C(C=C4)S(=O)(=O)[O-])NC5=NC(=NC(=N5)Cl)Cl)S(=O)(=O)[O-])N.[Na+].[Na+].

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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