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Chemistry, part 2

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Concept information

organooxygen compound > ether > aromatic ether > (2r)-2-[(4r,5s)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > aromatic ether > (2r)-2-[(4r,5s)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$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 molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r)-2-[(4r,5s)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > aromatic ether > (2r)-2-[(4r,5s)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-2-yl]-1-propanol

Preferred term

(2r)-2-[(4r,5s)-8-bromo-5-[[cyclopropylmethyl(methyl)amino]methyl]-4-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

  • C19H29BrN2O4S

inchi

  • InChI=1S/C19H29BrN2O4S/c1-13-9-22(14(2)12-23)27(24,25)19-7-6-16(20)8-17(19)26-18(13)11-21(3)10-15-4-5-15/h6-8,13-15,18,23H,4-5,9-12H2,1-3H3/t13-,14-,18-/m1/s1

inchikey

  • NQKVBKPKEYEFNC-HBUWYVDXSA-N

mass

  • 461.415

monoisotopicmass

  • 460.10314

smiles

  • C[C@@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)Br)O[C@@H]1CN(C)CC3CC3)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:114103

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