iotrolan

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

CAS: 79770-24-4

Molecular Formula	`C37H48I6N6O18`
Molecular Weight	1626.2 g/mol
LogP	-4.2
Topological Polar Surface Area	400.0 A2
Hydrogen Bond Donors	16
Hydrogen Bond Acceptors	18
Rotatable Bonds	24
Exact Mass	1625.7292
Heavy Atoms	67
Complexity	1450.0

Chemical Identifiers

CAS Number	79770-24-4
SMILES	`CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I`
InChIKey	`XUHXFSYUBXNTHU-UHFFFAOYSA-N`

📖 Product Overview

iotrolan (CAS: 79770-24-4) is a chemical compound with molecular formula C37H48I6N6O18 and molecular weight 1626.2 g/mol. Its IUPAC systematic name is 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. LogP -4.2 Topological Polar Surface Area 400.0 A2 Hydrogen Bond Donors 16 Hydrogen Bond Acceptors 18 Rotatable Bonds 24 Exact Mass 1625.7292 Heavy Atoms 67 Complexity 1450.0 InChI Key: XUHXFSYUBXNTHU-UHFFFAOYSA-N. SMILES: CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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Frequently Asked Questions

What is the typical lead time for this product?

Lead time typically ranges from 3-7 business days for in-stock items. For larger quantities or custom orders, please contact us for specific lead times.

Can you provide samples for testing?

Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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