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Concept information

Preferred term

ایوابرادین (1+)  

Type

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

charge

  • +1

formula

  • C27H37N2O5

inchi

  • InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/p+1/t21-/m1/s1

inchikey

  • ACRHBAYQBXXRTO-OAQYLSRUSA-O

is_conjugate_acid_of

mass

  • 469.59250

monoisotopicmass

  • 469.26970

smiles

  • COc1cc2C[C@H](C[NH+](C)CCCN3CCc4cc(OC)c(OC)cc4CC3=O)c2cc1OC

subset

  • 3_STAR

synonym EXACT

  • N-{[(7S)-3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-trien-7-yl]methyl}-3-(7,8-dimethoxy-2-oxo-1,2,4,5-tetrahydro-3H-3-benzazepin-3-yl)-N-methylpropan-1-aminium

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:85972

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