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

Preferred term

(2s)-2-[(4s,5s)-5-[(dimethylamino)methyl]-8-(4-fluorophenyl)-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

  • C22H29FN2O4S

inchi

  • InChI=1S/C22H29FN2O4S/c1-15-12-25(16(2)14-26)30(27,28)22-10-7-18(17-5-8-19(23)9-6-17)11-20(22)29-21(15)13-24(3)4/h5-11,15-16,21,26H,12-14H2,1-4H3/t15-,16-,21+/m0/s1

inchikey

  • RACODSLPTPSRLF-CKJXQJPGSA-N

mass

  • 436.542

monoisotopicmass

  • 436.18321

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:128231

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