Potassium 3-[[(2-Chloroacetyl)Amino]Methyl]-2-[[2-[[4-(Cyclohexylamino)-9,10-Dioxoanthracen-1-Yl]Amino]Cyclohexyl]Methyl]Benzenesulfonate
[CAS# 75247-19-7]

Identification

• Name: Potassium 3-[[(2-Chloroacetyl)Amino]Methyl]-2-[[2-[[4-(Cyclohexylamino)-9,10-Dioxoanthracen-1-Yl]Amino]Cyclohexyl]Methyl]Benzenesulfonate
• Synonyms: Potassium 3-[[(2-Chloroacetyl)Amino]Methyl]-2-[[2-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]Cyclohexyl]Methyl]Benzenesulfonate; Potassium 3-[[(2-Chloro-1-Oxoethyl)Amino]Methyl]-2-[[2-[[4-(Cyclohexylamino)-9,10-Dioxo-1-Anthryl]Amino]Cyclohexyl]Methyl]Benzenesulfonate; Potassium 3-[[(2-Chloroacetyl)Amino]Methyl]-2-[[2-[[4-(Cyclohexylamino)-9,10-Diketo-1-Anthryl]Amino]Cyclohexyl]Methyl]Benzenesulfonate
• Molecular Formula: C₃₆H₃₉ClKN₃O₆S
• Molecular Weight: 716.33
• CAS Registry Number: 75247-19-7
• EINECS: 278-151-9
• SMILES: C1=CC(=C4C(=C1NC3C(CC2=C(C=CC=C2[S]([O-])(=O)=O)CNC(=O)CCl)CCCC3)C(=O)C5=C(C4=O)C=CC=C5)NC6CCCCC6.[K+]
• InChI: 1S/C36H40ClN3O6S.K/c37-20-32(41)38-21-23-10-8-16-31(47(44,45)46)27(23)19-22-9-4-7-15-28(22)40-30-18-17-29(39-24-11-2-1-3-12-24)33-34(30)36(43)26-14-6-5-13-25(26)35(33)42;/h5-6,8,10,13-14,16-18,22,24,28,39-40H,1-4,7,9,11-12,15,19-21H2,(H,38,41)(H,44,45,46);/q;+1/p-1
• InChIKey: JVTLNBWQWHITQN-UHFFFAOYSA-M