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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > mifepristone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > mifepristone
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > acetylenic compound > mifepristone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > acetylenic compound > mifepristone

Preferred term

mifepristone  

Type

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

Broader concept

alt_id

  • CHEBI:40057
  • CHEBI:6934

charge

  • 0

formula

  • C29H35NO2

has_parent_hydride

has_role

inchi

  • InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1

inchikey

  • VKHAHZOOUSRJNA-GCNJZUOMSA-N

mass

  • 429.59374

monoisotopicmass

  • 429.26678

smiles

  • [H][C@@]12CCC3=CC(=O)CCC3=C1[C@H](C[C@@]1(C)[C@@]2([H])CC[C@@]1(O)C#CC)c1ccc(cc1)N(C)C

subset

  • 3_STAR

synonym EXACT

  • 11beta-[4-(dimethylamino)phenyl]-17beta-hydroxy-17alpha-(prop-1-yn-1-yl)estra-4,9-dien-3-one
  • Mifepristone

synonym RELATED

  • 11-(4-DIMETHYLAMINO-PHENYL)-17-HYDROXY-13-METHYL-17-PROP-1-YNYL-1,2,6,7,8,11,12,13,14,15,16,17-DODEC AHYDRO-CYCLOPENTA[A]PHENANTHREN-3-ONE
  • Mifegyne
  • Mifeprex
  • mifepristona
  • mifepristone
  • mifepristonum
  • RU-486
  • RU486

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:50692

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