OptiMARK

Molecular Formula: C₂₀H₃₄GdN₅O₁₀

InChI: InChI=1/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3/fC20H34N5O10.Gd/h21-22H;/q-3;m

InChIKey: InChIKey=HBEAOBRDTOXWRZ-QHSCDVHFCJ
SMILES: [Gd+3].COCCNC(=O)CN(CCN(CCN(CC([O-])=O)CC(=O)NCCOC)CC([O-])=O)CC([O-])=O

CAS number 131069-91-5

Names:
    Gadoversetamide (JAN/USP)
    gadoversetamide
    Optimark (TN)
    OptiMARK
    2-[bis[2-(carboxylatomethyl-(2-methoxyethylcarbamoylmethyl)amino)ethyl]amino]acetate; gadolinium(+3) cation

Registries:
    PubChem CID 6435809
    CAS 131069-91-5 (from NIST)
    ChEBI 31644
    Gmelin 1701622
    Kegg D01646
    PubChem ID 10299465
    PubChem ID 7848709