Sodium 4-[[(2-Chloroacetyl)Amino]Methyl]-3-[4-[[4-(Cyclohexylamino)-9,10-Dioxoanthracen-1-Yl]Amino]Phenoxy]-2-Methylbenzenesulfonate
[CAS# 72391-24-3]

Identification

• Name: Sodium 4-[[(2-Chloroacetyl)Amino]Methyl]-3-[4-[[4-(Cyclohexylamino)-9,10-Dioxoanthracen-1-Yl]Amino]Phenoxy]-2-Methylbenzenesulfonate
• Synonyms: Sodium 4-[[(2-Chloroacetyl)Amino]Methyl]-3-[4-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]Phenoxy]-2-Methyl-Benzenesulfonate; Sodium 4-[[(2-Chloro-1-Oxoethyl)Amino]Methyl]-3-[4-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]Phenoxy]-2-Methylbenzenesulfonate; Sodium 4-[[(2-Chloroacetyl)Amino]Methyl]-3-[4-[[4-(Cyclohexylamino)-9,10-Diketo-1-Anthryl]Amino]Phenoxy]-2-Methyl-Benzenesulfonate
• Molecular Formula: C₃₆H₃₃ClN₃NaO₇S
• Molecular Weight: 710.18
• CAS Registry Number: 72391-24-3
• EINECS: 276-635-4
• SMILES: C1=CC(=C4C(=C1NC3=CC=C(OC2=C(C(=CC=C2CNC(=O)CCl)[S]([O-])(=O)=O)C)C=C3)C(=O)C5=C(C4=O)C=CC=C5)NC6CCCCC6.[Na+]
• InChI: 1S/C36H34ClN3O7S.Na/c1-21-30(48(44,45)46)18-11-22(20-38-31(41)19-37)36(21)47-25-14-12-24(13-15-25)40-29-17-16-28(39-23-7-3-2-4-8-23)32-33(29)35(43)27-10-6-5-9-26(27)34(32)42;/h5-6,9-18,23,39-40H,2-4,7-8,19-20H2,1H3,(H,38,41)(H,44,45,46);/q;+1/p-1
• InChIKey: INODZIDNDJNSKB-UHFFFAOYSA-M