Gadodiamide hydrateProduct ingredient forGadodiamide
- Name
- Gadodiamide hydrate
- Drug Entry
-
Gadodiamide
Gadodiamide is a paramagnetic gadolinium-based contrast agent (GBCA) that is used in MR imaging procedures to assist in the visualization of blood vessels. It is intravenously injected and is commonly marketed under the trade name Omniscan.
- Accession Number
- DBSALT000888
- Structure
-
Structure for Gadodiamide hydrate (DBSALT000888)
- Synonyms
- Gadodiamide hydrate/Gadodiamide trihydrate
- UNII
- 0RPE15QPL0
- CAS Number
- 122795-43-1
- Weight
-
Average: 627.71
Monoisotopic: 628.13394 - Chemical Formula
- C16H32GdN5O11
- InChI Key
- WYKPQCVMUQQKCL-UHFFFAOYSA-K
- InChI
-
InChI=1S/C16H29N5O8.Gd.3H2O/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;3*1H2/q;+3;;;/p-3
- IUPAC Name
-
gadolinium(3+) 2-[bis({2-[(carboxylatomethyl)[(methylcarbamoyl)methyl]amino]ethyl})amino]acetate trihydrate
- SMILES
-
O.O.O.[Gd+3].CNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NC)CC([O-])=O)CC([O-])=O
- External Links
-
- Human Metabolome Database
- HMDB0014370
- KEGG Drug
- D01645
- KEGG Compound
- C13106
- PubChem Compound
- 60754
- ChemSpider
- 23254953
- ChEBI
- 31642
- PharmGKB
- PA164784027
- Predicted Properties
-
Property Value Source Water Solubility 5.21 mg/mL ALOGPS logP 0.02 ALOGPS logP -8.7 Chemaxon logS -2.1 ALOGPS pKa (Strongest Acidic) 1.02 Chemaxon pKa (Strongest Basic) 8.34 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 188.31 Å2 Chemaxon Rotatable Bond Count 16 Chemaxon Refractivity 132.4 m3·mol-1 Chemaxon Polarizability 40.06 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon
