disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate

C43H39N7Na2O13RuS3-2 — CID 58079219

About disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate

disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate (PubChem CID 58079219) has the molecular formula C43H39N7Na2O13RuS3-2 and a molecular weight of 1105.07 g/mol. Its IUPAC name is disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate.

Molecular Properties

• Compound Name: disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate
• PubChem CID: 58079219
• Molecular Formula: C43H39N7Na2O13RuS3-2
• Molecular Weight: 1105.07 g/mol
• Exact Mass: 1105.06
• IUPAC Name: disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate
• SMILES: O=C(CCCc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1)ON1C(=O)CCC1=O.O=S(=O)([O-])Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.[CH2-]c1ccnc(-c2cc(C)ccn2)c1.[Na+].[Na+].[Ru]
• InChI: InChI=1S/C19H19N3O7S.C12H12N2O6S2.C12H11N2.2Na.Ru/c23-17-4-5-18(24)22(17)29-19(25)3-1-2-13-6-8-20-15(10-13)16-11-14(7-9-21-16)12-30(26,27)28;15-21(16,17)7-9-1-3-13-11(5-9)12-6-10(2-4-14-12)8-22(18,19)20;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h6-11H,1-5,12H2,(H,26,27,28);1-6H,7-8H2,(H,15,16,17)(H,18,19,20);3-8H,1H2,2H3;;;/q;;-1;2*+1;/p-3
• InChIKey: ALFTUSGMSOBYTC-UHFFFAOYSA-K
• XLogP: -2.01
• TPSA: 312.62 Ų
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1105.07
LogP ≤ 5	-2.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate?

The IUPAC name of disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate (CID 58079219) is disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate.

What is the SMILES notation for disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate?

The canonical SMILES for disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate is O=C(CCCc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1)ON1C(=O)CCC1=O.O=S(=O)([O-])Cc1ccnc(-c2cc(CS(=O)(=O)[O-])ccn2)c1.[CH2-]c1ccnc(-c2cc(C)ccn2)c1.[Na+].[Na+].[Ru].

What is the InChIKey of disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate?

The InChIKey is ALFTUSGMSOBYTC-UHFFFAOYSA-K. The full InChI is InChI=1S/C19H19N3O7S.C12H12N2O6S2.C12H11N2.2Na.Ru/c23-17-4-5-18(24)22(17)29-19(25)3-1-2-13-6-8-20-15(10-13)16-11-14(7-9-21-16)12-30(26,27)28;15-21(16,17)7-9-1-3-13-11(5-9)12-6-10(2-4-14-12)8-22(18,19)20;1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;;;/h6-11H,1-5,12H2,(H,26,27,28);1-6H,7-8H2,(H,15,16,17)(H,18,19,20);3-8H,1H2,2H3;;;/q;;-1;2*+1;/p-3.

What are the key properties of disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate?

disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate has a molecular weight of 1105.07 g/mol, XLogP of -2.01, 14 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for disodium;[2-[4-[4-(2,5-dioxopyrrolidin-1-yl)oxy-4-oxobutyl]-2-pyridinyl]-4-pyridinyl]methanesulfonate;2-(4-methanidyl-2-pyridinyl)-4-methylpyridine;ruthenium;[2-[4-(sulfonatomethyl)-2-pyridinyl]-4-pyridinyl]methanesulfonate is sourced from PubChem (CID 58079219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).