1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate
Basic information
- CAS
13087-53-1- Standard SMILES
CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(=O)O)c1I.CNCC(O)C(O)C(O)C(O)CO- InChIKey
VLHUSFYMPUDOEL-UHFFFAOYSA-N- Molecular formula
- C18H26I3N3O9
- Average molar mass
- 809.1 g/mol
- Monoisotopic mass
- 808.8803
Names & identifiers
- Preferred name
- 1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate
- IUPAC
- 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
- English name
- Iothalamate meglumine
- Molecular formula
- C11H9I3N2O4.C7H17NO5
- Molecular weight
- 809.13
Names & synonyms
1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoateCysto-ConrayEINECS 235-998-9Meglumine conrayMeglumine iotalamateIothalamate MeglumineN-Methylglucamine saltIotalamic acid meglumineIothalamic acid·meglumineMethylglucamine iotalamateIotalamic acid meglumine salt
Database identifiers
- CAS
13087-53-1- PubChem CID
- 25694
- EC Number
- 235-998-9
Properties
Computed structural properties
- Topological polar surface area
- 209 Ų
- Hydrogen bond donors
- 9
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 555
Physicochemical properties
- FDA UNII
- 72 GOP7W · XUW72GOP7W
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317-H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Applications
UsesDiagnostic aid (radiopaque medium).
General DescriptionIothalamate meglumineis a high-osmolar, ionic monomer with 47% boundiodine content. Conray is indicated for use in angiography,excretory urography, arthrography, cholangiography, endoscopicretrograde cholangiopancreatography, and variousCT procedures.
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: Iothalamate meglumine is an amidobenzoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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