Iopentol

Iopentol
Systematic (IUPAC) name
	1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxy-3-methoxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
Clinical data
AHFS/Drugs.com	International Drug Names
Identifiers
CAS Number	89797-00-2
ATC code	V08AB08 (WHO)
PubChem	CID: 56016
ChemSpider	50573
UNII	7D6XWX076T
KEGG	D04582
ChEMBL	CHEMBL2104783
Chemical data
Formula	C20H28I3N3O9
Molecular mass	835.16443 g/mol
	SMILES CC(=O)N(CC(COC)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I ;
	InChI InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34) ; Key:IUNJANQVIJDFTQ-UHFFFAOYSA-N ;
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Iopentol is a molecule used as a contrast medium.

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Systematic (IUPAC) name

1-N,3-N-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxy-3-methoxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
Clinical data
AHFS/Drugs.com	International Drug Names
Identifiers
CAS Number	89797-00-2^N
ATC code	V08AB08 (WHO)
PubChem	CID: 56016
ChemSpider	50573^N
UNII	7D6XWX076T^Y
KEGG	D04582^Y
ChEMBL	CHEMBL2104783^N
Chemical data
Formula	C₂₀H₂₈I₃N₃O₉
Molecular mass	835.16443 g/mol
SMILES CC(=O)N(CC(COC)O)c1c(c(c(c(c1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
InChI InChI=1S/C20H28I3N3O9/c1-9(29)26(5-12(32)8-35-2)18-16(22)13(19(33)24-3-10(30)6-27)15(21)14(17(18)23)20(34)25-4-11(31)7-28/h10-12,27-28,30-32H,3-8H2,1-2H3,(H,24,33)(H,25,34)^N Key:IUNJANQVIJDFTQ-UHFFFAOYSA-N^N

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