Gadopentetate dimeglumineProduct ingredient for Gadopentetic acid
- Name
- Gadopentetate dimeglumine
- Drug Entry
- Gadopentetic acid
A complex of gadolinium with a chelating agent, diethylenetriamine penta-acetic acid (DTPA see pentetic acid), that is given to enhance the image in cranial and spinal MRIs. (From Martindale, The Extra Pharmacopoeia, 30th ed, p706)
- Accession Number
- DBSALT002762
- Structure
Structure for Gadopentetate dimeglumine (DBSALT002762)
- Synonyms
- Diethylenetriaminepentaacetic acid dimeglumine salt gadolinium chelate / Gadopentetic acid dimeglumine salt / Meglumine gadopentetate
- UNII
- RH248G8V27
- CAS Number
- 86050-77-3
- Weight
- Average: 938.0
Monoisotopic: 938.260314726 - Chemical Formula
- C28H54GdN5O20
- InChI Key
- LGMLJQFQKXPRGA-VPVMAENOSA-K
- InChI
- InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1
- IUPAC Name
- gadolinium(3+) bis((2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol) 2-[bis({2-[bis(carboxymethyl)amino]ethyl})amino]acetate
- SMILES
- [Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O
- External Links
- Human Metabolome Database
- HMDB0014927
- KEGG Drug
- D01707
- ChemSpider
- 50087
- ChEBI
- 31797
- PharmGKB
- PA164748760
- Wikipedia
- Gadopentetic_acid
- Predicted Properties
Property Value Source Water Solubility 7.86 mg/mL ALOGPS logP 0.05 ALOGPS logP -6.3 Chemaxon logS -1.9 ALOGPS pKa (Strongest Acidic) 1.95 Chemaxon pKa (Strongest Basic) 8.82 Chemaxon Physiological Charge -3 Chemaxon Hydrogen Acceptor Count 13 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 204.71 Å2 Chemaxon Rotatable Bond Count 28 Chemaxon Refractivity 118.96 m3·mol-1 Chemaxon Polarizability 34.17 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