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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > fluorine molecular entity > organofluorine compound > 1-[[(4r,5s)-8-(2-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > 1-[[(4r,5s)-8-(2-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > 1-[[(4r,5s)-8-(2-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organofluorine compound > 1-[[(4r,5s)-8-(2-fluorophenyl)-2-[(2s)-1-hydroxypropan-2-yl]-4-methyl-1,1-dioxo-4,5-dihydro-3h-6,1$l^/{6/},2-benzoxathiazocin-5-yl]methyl]-1-methyl-3-propylurea

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C25H34FN3O5S

inchi

  • InChI=1S/C25H34FN3O5S/c1-5-12-27-25(31)28(4)15-23-17(2)14-29(18(3)16-30)35(32,33)24-11-10-19(13-22(24)34-23)20-8-6-7-9-21(20)26/h6-11,13,17-18,23,30H,5,12,14-16H2,1-4H3,(H,27,31)/t17-,18+,23-/m1/s1

inchikey

  • YZGVRROAGSWMNC-IEGUWTFLSA-N

mass

  • 507.620

monoisotopicmass

  • 507.22032

smiles

  • CCCNC(=O)N(C)C[C@@H]1[C@@H](CN(S(=O)(=O)C2=C(O1)C=C(C=C2)C3=CC=CC=C3F)[C@@H](C)CO)C

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:109860

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