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Concept information

Preferred term

کوکائین  

Type

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

alt_id

  • CHEBI:23346
  • CHEBI:3801
  • CHEBI:41642

charge

  • 0

formula

  • C17H21NO4

inchi

  • InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12-,13+,14-,15+/m0/s1

inchikey

  • ZPUCINDJVBIVPJ-LJISPDSOSA-N

is_conjugate_base_of

mass

  • 303.35290

monoisotopicmass

  • 303.14706

smiles

  • [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)c1ccccc1)C(=O)OC)N2C

subset

  • 3_STAR

synonym EXACT

  • (1R,2R,3S,5S)-2-(methoxycarbonyl)tropan-3-yl benzoate
  • COCAINE
  • Cocaine
  • methyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:27958

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