Ioglycamic acid

C₁₈H₁₀I₆N₂O₇ — CID 17477

About Ioglycamic acid

Ioglycamic acid (PubChem CID 17477) has the molecular formula C₁₈H₁₀I₆N₂O₇ and a molecular weight of 1127.71 g/mol. Its IUPAC name is 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid.

Molecular Properties

• Compound Name: Ioglycamic acid
• PubChem CID: 17477
• Molecular Formula: C₁₈H₁₀I₆N₂O₇
• Molecular Weight: 1127.71 g/mol
• Exact Mass: 1127.48
• IUPAC Name: 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid
• SMILES: O=C(COCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I
• InChI: InChI=1S/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32)
• InChIKey: FZDZULUFHNDEDJ-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 142.03 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1127.71
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Ioglycamic acid?

The IUPAC name of Ioglycamic acid (CID 17477) is 3-[[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid.

What is the SMILES notation for Ioglycamic acid?

The canonical SMILES for Ioglycamic acid is O=C(COCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I.

What is the InChIKey of Ioglycamic acid?

The InChIKey is FZDZULUFHNDEDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10I6N2O7/c19-5-1-7(21)15(13(23)11(5)17(29)30)25-9(27)3-33-4-10(28)26-16-8(22)2-6(20)12(14(16)24)18(31)32/h1-2H,3-4H2,(H,25,27)(H,26,28)(H,29,30)(H,31,32).

What are the key properties of Ioglycamic acid?

Ioglycamic acid has a molecular weight of 1127.71 g/mol, XLogP of 5.30, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Ioglycamic acid is sourced from PubChem (CID 17477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 17477 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3306 — approved-drug record (CC BY-SA 4.0)

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