potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride

C159H209Cl3F3IKN15O36 — CID 162184928

About potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride

potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride (PubChem CID 162184928) has the molecular formula C159H209Cl3F3IKN15O36 and a molecular weight of 3235.84 g/mol. Its IUPAC name is potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride.

Molecular Properties

• Compound Name: potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride
• PubChem CID: 162184928
• Molecular Formula: C159H209Cl3F3IKN15O36
• Molecular Weight: 3235.84 g/mol
• Exact Mass: 3232.27
• IUPAC Name: potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride
• SMILES: C.CCN(CCCC(=O)O)c1cc(O)ccc1OC.CCN(CCCC(=O)OC)c1cc(C)ccc1OC.CCN(CCCC(=O)OC)c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCN(CCCC(=O)OC)c1cc(O)ccc1OC.CCN(CCCC(=O)ON1C(=O)CCC1=O)c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCN(CCCC(=O)[O-])c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCNc1cc(C)ccc1OC.COC(=O)CCCI.Cl.O=C1CCC(=O)N1OC(=O)C(F)(F)F.[Cl-].[Cl-].[K+].[OH-]
• InChI: InChI=1S/C34H38N4O7.C31H37N3O5.C30H35N3O5.C15H23NO3.C14H21NO4.C13H19NO4.C10H15NO.C6H4F3NO4.C5H9IO2.CH4.3ClH.K.H2O/c1-7-37(16-8-9-33(42)45-38-31(40)14-15-32(38)41)26-20-27(39)25(19-30(26)43-6)34-23-12-10-21(35(2)3)17-28(23)44-29-18-22(36(4)5)11-13-24(29)34;1-8-34(15-9-10-30(36)38-7)25-19-26(35)24(18-29(25)37-6)31-22-13-11-20(32(2)3)16-27(22)39-28-17-21(33(4)5)12-14-23(28)31;1-7-33(14-8-9-29(35)36)24-18-25(34)23(17-28(24)37-6)30-21-12-10-19(31(2)3)15-26(21)38-27-16-20(32(4)5)11-13-22(27)30;1-5-16(10-6-7-15(17)19-4)13-11-12(2)8-9-14(13)18-3;1-4-15(9-5-6-14(17)19-3)12-10-11(16)7-8-13(12)18-2;1-3-14(8-4-5-13(16)17)11-9-10(15)6-7-12(11)18-2;1-4-11-9-7-8(2)5-6-10(9)12-3;7-6(8,9)5(13)14-10-3(11)1-2-4(10)12;1-8-5(7)3-2-4-6;;;;;;/h10-13,17-20H,7-9,14-16H2,1-6H3;11-14,16-19H,8-10,15H2,1-7H3;10-13,15-18H,7-9,14H2,1-6H3,(H,35,36);8-9,11H,5-7,10H2,1-4H3;7-8,10,16H,4-6,9H2,1-3H3;6-7,9,15H,3-5,8H2,1-2H3,(H,16,17);5-7,11H,4H2,1-3H3;1-2H2;2-4H2,1H3;1H4;3*1H;;1H2/q;;;;;;;;;;;;;+1;/p-1
• InChIKey: WYSZZNXAZIDAPN-UHFFFAOYSA-M
• XLogP: 15.31
• TPSA: 595.39 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 45
• Rotatable Bonds: 56
• Heavy Atoms: 218
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3235.84
LogP ≤ 5	15.31
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride?

The IUPAC name of potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride (CID 162184928) is potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride.

What is the SMILES notation for potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride?

The canonical SMILES for potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride is C.CCN(CCCC(=O)O)c1cc(O)ccc1OC.CCN(CCCC(=O)OC)c1cc(C)ccc1OC.CCN(CCCC(=O)OC)c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCN(CCCC(=O)OC)c1cc(O)ccc1OC.CCN(CCCC(=O)ON1C(=O)CCC1=O)c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCN(CCCC(=O)[O-])c1cc(O)c(-c2c3ccc(=[N+](C)C)cc-3oc3cc(N(C)C)ccc23)cc1OC.CCNc1cc(C)ccc1OC.COC(=O)CCCI.Cl.O=C1CCC(=O)N1OC(=O)C(F)(F)F.[Cl-].[Cl-].[K+].[OH-].

What is the InChIKey of potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride?

The InChIKey is WYSZZNXAZIDAPN-UHFFFAOYSA-M. The full InChI is InChI=1S/C34H38N4O7.C31H37N3O5.C30H35N3O5.C15H23NO3.C14H21NO4.C13H19NO4.C10H15NO.C6H4F3NO4.C5H9IO2.CH4.3ClH.K.H2O/c1-7-37(16-8-9-33(42)45-38-31(40)14-15-32(38)41)26-20-27(39)25(19-30(26)43-6)34-23-12-10-21(35(2)3)17-28(23)44-29-18-22(36(4)5)11-13-24(29)34;1-8-34(15-9-10-30(36)38-7)25-19-26(35)24(18-29(25)37-6)31-22-13-11-20(32(2)3)16-27(22)39-28-17-21(33(4)5)12-14-23(28)31;1-7-33(14-8-9-29(35)36)24-18-25(34)23(17-28(24)37-6)30-21-12-10-19(31(2)3)15-26(21)38-27-16-20(32(4)5)11-13-22(27)30;1-5-16(10-6-7-15(17)19-4)13-11-12(2)8-9-14(13)18-3;1-4-15(9-5-6-14(17)19-3)12-10-11(16)7-8-13(12)18-2;1-3-14(8-4-5-13(16)17)11-9-10(15)6-7-12(11)18-2;1-4-11-9-7-8(2)5-6-10(9)12-3;7-6(8,9)5(13)14-10-3(11)1-2-4(10)12;1-8-5(7)3-2-4-6;;;;;;/h10-13,17-20H,7-9,14-16H2,1-6H3;11-14,16-19H,8-10,15H2,1-7H3;10-13,15-18H,7-9,14H2,1-6H3,(H,35,36);8-9,11H,5-7,10H2,1-4H3;7-8,10,16H,4-6,9H2,1-3H3;6-7,9,15H,3-5,8H2,1-2H3,(H,16,17);5-7,11H,4H2,1-3H3;1-2H2;2-4H2,1H3;1H4;3*1H;;1H2/q;;;;;;;;;;;;;+1;/p-1.

What are the key properties of potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride?

potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride has a molecular weight of 3235.84 g/mol, XLogP of 15.31, 56 rotatable bonds, 7 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;4-[4-[3-(dimethylamino)-6-dimethylazaniumylidenexanthen-9-yl]-N-ethyl-5-hydroxy-2-methoxyanilino]butanoate;[6-(dimethylamino)-9-[4-[[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-ethylamino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;[6-(dimethylamino)-9-[4-[ethyl-(4-methoxy-4-oxobutyl)amino]-2-hydroxy-5-methoxyphenyl]xanthen-3-ylidene]-dimethylazanium;(2,5-dioxopyrrolidin-1-yl) 2,2,2-trifluoroacetate;4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoic acid;N-ethyl-2-methoxy-5-methylaniline;methane;methyl 4-(N-ethyl-5-hydroxy-2-methoxyanilino)butanoate;methyl 4-(N-ethyl-2-methoxy-5-methylanilino)butanoate;methyl 4-iodobutanoate;dichloride;hydroxide;hydrochloride is sourced from PubChem (CID 162184928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).