Calcium DTPA

Molecular Formula: C₁₄H₂₁CaN₃O₁₀

InChI: InChI=1/C14H23N3O10.Ca/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;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+2/p-2/fC14H21N3O10.Ca/h20,22,24H;/q-2;m

InChIKey: InChIKey=BHRQIJRLOVHRKH-JNINLRCPCT
SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)[O-])CC(=O)[O-].[Ca+2]

Names:
    Calcium diethylenetriaminepentaacetic acid
    Calcium diethylene triamine pentaacetate
    Calcium DIPA
    Calcium DTPA
    Calcium N,N-bis(2-(bis(carboxymethyl)amino)ethyl)glycinate (1:1)
    calcium 2-[2-[2-(bis(carboxymethyl)amino)ethyl-(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
    Diethylenetriaminepentaacetic acid, calcium salt
    EINECS 219-790-5
    GLYCINE, N,N-BIS(2-(BIS(CARBOXYMETHYL)AMINO)ETHYL)-, CALCIUM SALT
    15168-13-5
    2531-75-1

Registries:
    PubChem CID 3828211
    PubChem ID 160497