Chem
J-GLOBAL ID:200907019119814874
Nikkaji number:J25.830J
Iopentol
イオペントール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C20 H28 I3 N3 O9
Molecular formula furigana:
C20-H28-I3-N3-O9
Molecular weight:
835.169
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)
InChI key:
IUNJANQVIJDFTQ-UHFFFAOYSA-N
SMILES:
COCC(O)CN(C(=O)C)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
Systematic name (3):
5-[アセチル(2-ヒドロキシ-3-メトキシプロピル)アミノ]-N,N′-ビス(2,3-ジヒドロキシプロピル)-2,4,6-トリヨード-1,3-ベンゼンジカルボアミド
N1,N3-ビス(2,3-ジヒドロキシプロピル)-5-[N-(2-ヒドロキシ-3-メトキシプロピル)アセトアミド]-2,4,6-トリヨードベンゼン-1,3-ジカルボキサミド
N1,N3-bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxy-3-methoxypropyl)acetamido]-2,4,6-triiodobenzene-1,3-dicarboxamide
Other name (3):
イオペントール
Iopentol
5-[Acetyl(2-hydroxy-3-methoxypropyl)amino]-N,N′-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide
CAS registry number:
89797-00-2
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