Product Code
TRC-C145700
CAS Number
Product Format
Neat
Molecular Formula
C18 H32 Ca N4 O9
Molecular Weight
488.55
Product Categories
Alternate CAS Number
Purity
>95% (HPLC)
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Analyte Name
Calcobutrol
CAS Number
151878-23-8
Molecular Formula
C18 H32 Ca N4 O9
Molecular Weight
488.55
Accurate Mass
488.1795
SMILES
OC[C@@H](O)[C@@H](CO)N12CCN3(CC(=O)O)CCN4(CC(=O)[O-])CCN(CC(=O)[O-])(CC1)[Ca+2]234
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
Alternate CAS Number
(1:1) salt: 151878-23-8
Storage Temperature
+4°C
Shipping Temperature
Room Temperature
Country of Origin
CANADA
Product Format
Neat
Purity
>95% (HPLC)
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