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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > (2r)-2-[(4r,5r)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > (2r)-2-[(4r,5r)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2r)-2-[(4r,5r)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2r)-2-[(4r,5r)-8-(1-cyclohexenyl)-4-methyl-5-[[methyl-(phenylmethyl)amino]methyl]-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol  

Type

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

Broader concept

charge

  • 0

formula

  • C28H38N2O4S

inchi

  • InChI=1S/C28H38N2O4S/c1-21-17-30(22(2)20-31)35(32,33)28-15-14-25(24-12-8-5-9-13-24)16-26(28)34-27(21)19-29(3)18-23-10-6-4-7-11-23/h4,6-7,10-12,14-16,21-22,27,31H,5,8-9,13,17-20H2,1-3H3/t21-,22-,27+/m1/s1

inchikey

  • AOJFCTBUJGGREB-LOYIFYEOSA-N

mass

  • 498.679

monoisotopicmass

  • 498.25523

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C3=CCCCC3)O[C@H]1CN(C)CC4=CC=CC=C4)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:129936

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