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79770-24-4

79770-24-4 Structure

79770-24-4 Structure
IdentificationBack Directory
[Name]

Iotrolan
[CAS]

79770-24-4
[Synonyms]

Iotrol
Isovist
IOTROLAN
ZK 39482
Iotrovist
SHL 437AA
Isovist 240
Isovist 280
Isovist 300
Compound ZK 39482
IOTROLAN(ISOVIST)
5,5'-[(1,3-Dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N'-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-1,3-benzenedicarboxamide]
1,3-Benzenedicarboxamide, 5,5'-[(1,3-dioxo-1,3-propanediyl)bis(methylimino)]bis[N,N'-bis[2,3-dihydroxy-1-(hydroxymethyl)propyl]-2,4,6-triiodo-
2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
2,4,6-Triiodo-5-[methyl-[3-[methyl-[2,4,6-triiodo-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)phenyl]amino]-3-oxopropanoyl]amino]-N,N'-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
2,4,6-triiodo-5-[methyl-[3-[methyl-[2,4,6-triiodo-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)phenyl]amino]-3-oxopropanoyl]amino]-n,n'-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
5-[[3-[3,5-bis[(2,3-dihydroxy-1-methylol-propyl)carbamoyl]-2,4,6-triiodo-N-methyl-anilino]-3-keto-propanoyl]-methyl-amino]-N,N'-bis(2,3-dihydroxy-1-methylol-propyl)-2,4,6-triiodo-isophthalamide
2,4,6-triiodo-5-[methyl-[3-[methyl-[2,4,6-triiodo-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)phenyl]amino]-3-oxo-propanoyl]amino]-N1,N3-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
[Molecular Formula]

C37H48I6N6O18
[MDL Number]

MFCD00867930
[MOL File]

79770-24-4.mol
[Molecular Weight]

1626.23
Chemical PropertiesBack Directory
[Appearance]

White or yellowish-white powder, hygroscopic.
[Boiling point ]

1390.4±65.0 °C(Predicted)
[density ]

2.316±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

Very soluble in water, freely soluble in dimethyl sulfoxide, practically insoluble in ethanol (96 per cent).
[form ]

neat
[pka]

5.51±0.70(Predicted)
[Major Application]

pharmaceutical (small molecule)
[InChIKey]

XUHXFSYUBXNTHU-UHFFFAOYSA-N
[SMILES]

Ic1c(c(c(c(c1C(=O)NC(C(O)CO)CO)I)C(=O)NC(C(O)CO)CO)I)N(C)C(=O)CC(=O)N(C)c2c(c(c(c(c2I)C(=O)NC(C(O)CO)CO)I)C(=O)NC(C(O)CO)CO)I
Hazard InformationBack Directory
[Chemical Properties]

White or yellowish-white powder, hygroscopic.
[Uses]

Diagnostic aid (radiopaque medium).
[Definition]

ChEBI: Iotrolan is an organic molecular entity.
[Brand name]

Osmovist (Berlex).
Safety DataBack Directory
[Toxicity]

LD50 in mice, rats (gI/kg): >26, 12.7 i.v. (Sovak, 1982)
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