iodixanol

5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide

CAS: 92339-11-2

Molecular Formula	`C35H44I6N6O15`
Molecular Weight	1550.2 g/mol
LogP	-3.4
Topological Polar Surface Area	339.0 A2
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	15
Rotatable Bonds	22
Exact Mass	1549.7133
Heavy Atoms	62
Complexity	1330.0

Chemical Identifiers

CAS Number	92339-11-2
SMILES	`CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I`
InChIKey	`NBQNWMBBSKPBAY-UHFFFAOYSA-N`

📖 Product Overview

iodixanol (CAS: 92339-11-2) is a chemical compound with molecular formula C35H44I6N6O15 and molecular weight 1550.2 g/mol. Its IUPAC systematic name is 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide. LogP -3.4 Topological Polar Surface Area 339.0 A2 Hydrogen Bond Donors 13 Hydrogen Bond Acceptors 15 Rotatable Bonds 22 Exact Mass 1549.7133 Heavy Atoms 62 Complexity 1330.0 InChI Key: NBQNWMBBSKPBAY-UHFFFAOYSA-N. SMILES: CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I.

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