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

Concept information

Preferred term

eht 1864  

Type

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

charge

  • 0

formula

  • C25H27F3N2O4S.ClH.ClH

inchi

  • InChI=1S/C25H27F3N2O4S.2ClH/c26-25(27,28)18-4-5-20-21(14-18)29-7-6-24(20)35-13-3-1-2-10-33-23-17-34-19(15-22(23)31)16-30-8-11-32-12-9-30;;/h4-7,14-15,17H,1-3,8-13,16H2;2*1H

inchikey

  • LSECOAJFCKFQJG-UHFFFAOYSA-N

mass

  • 581.470

monoisotopicmass

  • 580.11772

smiles

  • C(CCOC1=COC(=CC1=O)CN2CCOCC2)CCSC3=CC=NC=4C=C(C=CC43)C(F)(F)F.Cl.Cl

subset

  • 2_STAR

synonym EXACT

  • 2-(morpholin-4-ylmethyl)-5-[5-[7-(trifluoromethyl)quinolin-4-yl]sulfanylpentoxy]pyran-4-one;dihydrochloride

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232411

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