Synonym
Gadocoletic Acid; Gadocoletic Acid [INN]; UNII-1S4079691T; 1S4079691T; 280765-60-8; Gadoletic acid trisodium salt; B22956/1
IUPAC/Chemical Name
gadolinium(III) trihydrogen 2,2',2'',2'''-(((((S)-1-carboxylato-4-(((3S,5R,8R,9S,10S,12S,13R,14S,17R)-17-((R)-4-carboxylatobutan-2-yl)-12-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)amino)-4-oxobutyl)azanediyl)bis(ethane-2,1-diyl))bis(azanetriyl))tetraacetate
InChi Key
FKRQJRDGWNLYFA-CFIJWHLBSA-K
InChi Code
InChI=1S/C41H66N4O14.Gd/c1-24(4-11-34(48)49)28-7-8-29-27-6-5-25-18-26(12-13-40(25,2)30(27)19-32(46)41(28,29)3)42-33(47)10-9-31(39(58)59)45(16-14-43(20-35(50)51)21-36(52)53)17-15-44(22-37(54)55)23-38(56)57;/h24-32,46H,4-23H2,1-3H3,(H,42,47)(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59);/q;+3/p-3/t24-,25-,26+,27+,28-,29+,30+,31+,32+,40+,41-;/m1./s1
SMILES Code
[H+].[H+].[H+].[Gd+3].[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)NC(=O)CC[C@H](N(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O)C([O-])=O)[C@H](C)CCC([O-])=O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
