Calcobutrol
Product Specifications
CAS Number
151878-23-8
Synonyms
1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1), rel-; 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-[2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1), (R*,S*)-(±)-; Calcobutrol
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
OC[C@@H](O)[C@@H](CO)N12CCN3(CC(=O)O)CCN4(CC(=O)[O-])CCN(CC(=O)[O-])(CC1)[Ca+2]234
Molecular Formula
C18 H32 Ca N4 O9
Molecular Weight
488.55
InChI
InChI=1S/C18H34N4O9.Ca/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+2/p-2/t14-,15-;/m1./s1
Shipping Conditions
Room Temperature
Storage Conditions
+4°C
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