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Concept information

ماده شیمیایی > ماده شیمیایی > مخلوط > هم نژاد > هیدرات توتوزات توتوزولاسین

Preferred term

هیدرات توتوزات توتوزولاسین  

Type

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

Broader concept

charge

  • 0

formula

  • C26H25F3N4O7S

inchi

  • InChI=1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2

inchikey

  • SSULTCPIIYRGFQ-UHFFFAOYSA-N

mass

  • 594.56000

monoisotopicmass

  • 594.13960

smiles

  • O.Cc1ccc(cc1)S(O)(=O)=O.NC1CCN(C1)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F

subset

  • 3_STAR

synonym EXACT

  • rac-1-[6-carboxy-8-(2,4-difluorophenyl)-3-fluoro-5-oxo-5,8-dihydro-1,8-naphthyridin-2-yl]pyrrolidin-3-aminium 4-methylbenzenesulfonate--water (1/1)
  • rac-7-(3-aminopyrrolidin-1-yl)-1-(2,4-difluorophenyl)-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid 4-methylbenzenesulfonate--water (1/1)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:32248

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