GADOCOLETIC ACID ,280776-87-6 _Chemical Cloud Database

GADOCOLETIC ACID

Basic Information
Product Name：	GADOCOLETIC ACID
CAS：	280776-87-6
English Synonyms：	GADOCOLETIC ACID
MDL Number.：	MFCD09837886
H bond acceptor：	18
H bond donor：	5
Smile：	C[C@@H]1CCC(=O)O[Gd]2OC(=O)CN(CCN([C@@H](CCC(=O)N[C@H]3CC[C@]4([C@@H](C3)CC[C@@H]5[C@@H]4C[C@@H]([C@@]6([C@@H]1CC[C@@H]56)C)O)C)C(=O)O2)CCN(CC(=O)O)CC(=O)O)CC(=O)O
InChi：	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
InChiKey：	InChIKey=FKRQJRDGWNLYFA-CFIJWHLBSA-K

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