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Chemistry, part 1

زبان محتوا

پشتیبانی: CRM@email.irandoc.ac.ir

Concept information

organic aromatic compound > aromatic amine > 4-[(4s,5s)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > 4-[(4s,5s)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol
... > 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 > 4-[(4s,5s)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol

اصطلاح مرجح

4-[(4s,5s)-5-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-[(2r)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-8-yl]-2-methyl-3-butyn-2-ol  

نوع

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

مفهوم اعم

بار

  • 0

فرمول

  • C27H35FN2O5S

اینچی

  • InChI=1S/C27H35FN2O5S/c1-19-15-30(20(2)18-31)36(33,34)26-11-8-21(12-13-27(3,4)32)14-24(26)35-25(19)17-29(5)16-22-6-9-23(28)10-7-22/h6-11,14,19-20,25,31-32H,15-18H2,1-5H3/t19-,20+,25+/m0/s1

اینچی‌کی

  • DFIFSWMEHHNDQD-WZOHSFFVSA-N

جرم

  • 518.643

جرم تک‌ایزوتوپی

  • 518.22507

اسمایلٓ

  • C[C@H]1CN(S(=O)(=O)C2=C(C=C(C=C2)C#CC(C)(C)O)O[C@@H]1CN(C)CC3=CC=C(C=C3)F)[C@H](C)CO

زیرمجموعه

  • 2_STAR

در زبان های دیگر

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:96682

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