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Candesartan N2-Glucuronide

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For Research Use Only | Not For Clinical Use
CATAPS180603763
CAS180603-76-3
Structure
IUPAC Name3-[[4-[2-[1-[(3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]tetrazol-5-yl]phenyl]phenyl]methyl]-2-ethoxybenzimidazole-4-carboxylic acid
Molecular Weight616.58
Molecular FormulaC30H28N6O9
Canonical SMILESCCOc1nc2cccc(C(=O)O)c2n1Cc3ccc(cc3)c4ccccc4c5nnnn5C6O[C@@H]([C@@H](O)[C@H](O)[C@H]6O)C(=O)O
InChIInChI=1S/C30H28N6O9/c1-2-44-30-31-20-9-5-8-19(28(40)41)21(20)35(30)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)26-32-33-34-36(26)27-24(39)22(37)23(38)25(45-27)29(42)43/h3-13,22-25,27,37-39H,2,14H2,1H3,(H,40,41)(H,42,43)/t22-,23-,24+,25-,27?/m0/s1
Accurate Mass616.1918
FormatNeat
SubcategoryCardiac drugs and beta blockers
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