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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

Candesartan-2-N-Beta-D-Glucuronide (2-)  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • -2

formula

  • C30H26N6O9

inchi

  • InChI=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)26-32-34-36(33-26)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)/p-2/t22-,23-,24+,25-,27+/m0/s1

inchikey

  • LYKDYQVBGWTPMW-GAYSTUHSSA-L

mass

  • 614.572

monoisotopicmass

  • 614.17722

smiles

  • C1(=CC=C(C=C1)CN2C3=C(C(=O)[O-])C=CC=C3N=C2OCC)C=4C=CC=CC4C=5N=NN(N5)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C([O-])=O)O)O)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149523

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