Sodium 1-Amino-4-[[3,5-Bis[[(Chloroacetyl)Amino]Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
[CAS# 80010-51-1]

Identification

• Name: Sodium 1-Amino-4-[[3,5-Bis[[(Chloroacetyl)Amino]Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dihydro-9,10-Dioxoanthracene-2-Sulphonate
• Synonyms: Sodium 1-Amino-4-[[3,5-Bis[[(2-Chloroacetyl)Amino]Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Dioxo-Anthracene-2-Sulfonate; Sodium 1-Amino-4-[[3,5-Bis[[(2-Chloro-1-Oxoethyl)Amino]Methyl]-2,4,6-Trimethylphenyl]Amino]-9,10-Dioxo-2-Anthracenesulfonate; Sodium 1-Amino-4-[[3,5-Bis[[(2-Chloroacetyl)Amino]Methyl]-2,4,6-Trimethyl-Phenyl]Amino]-9,10-Diketo-Anthracene-2-Sulfonate
• Molecular Formula: C₂₉H₂₇Cl₂N₄NaO₇S
• Molecular Weight: 669.51
• CAS Registry Number: 80010-51-1
• EINECS: 279-365-5
• SMILES: C1=C([S]([O-])(=O)=O)C(=C3C(=C1NC2=C(C(=C(C(=C2C)CNC(=O)CCl)C)CNC(=O)CCl)C)C(=O)C4=C(C3=O)C=CC=C4)N.[Na+]
• InChI: 1S/C29H28Cl2N4O7S.Na/c1-13-18(11-33-22(36)9-30)14(2)27(15(3)19(13)12-34-23(37)10-31)35-20-8-21(43(40,41)42)26(32)25-24(20)28(38)16-6-4-5-7-17(16)29(25)39;/h4-8,35H,9-12,32H2,1-3H3,(H,33,36)(H,34,37)(H,40,41,42);/q;+1/p-1
• InChIKey: HVDUMYBPGXAPLG-UHFFFAOYSA-M