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Concept information

Preferred term

dexamethasone 21-(4-pyridinecarboxylate)  

Type

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

Broader concept

charge

  • 0

formula

  • C28H32FNO6

inchi

  • InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1

inchikey

  • BQTXJHAJMDGOFI-NJLPOHDGSA-N

mass

  • 497.563

monoisotopicmass

  • 497.22137

smiles

  • F[C@@]12[C@]([C@]3([C@@]([C@](O)([C@@H](C3)C)C(=O)COC(=O)C4=CC=NC=C4)(C[C@@H]1O)C)[H])(CCC=5[C@]2(C)C=CC(=O)C5)[H]

subset

  • 2_STAR

synonym EXACT

  • [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-luoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] pyridine-4-carboxylate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177639

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