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Content language

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Concept information

... > ماده شیمیایی > هستار مولکولی > موجود چند اتمی > موجودیت مولکولی هترواتمی > نمک > نمک ارگانیک > نمک مالیده > Ro 25-6981 مالئات

Preferred term

Ro 25-6981 مالئات  

Type

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

Broader concept

charge

  • 0

formula

  • C22H29NO2.C4H4O4

has_part

has_role

inchi

  • InChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1

inchikey

  • FYJZEHCQSUBZDY-SEELMCCHSA-N

mass

  • 455.551

monoisotopicmass

  • 455.23079

smiles

  • OC(=O)/C=C/C(O)=O.C[C@@H](CN1CCC(CC2=CC=CC=C2)CC1)[C@@H](O)C1=CC=C(O)C=C1

subset

  • 3_STAR

synonym EXACT

  • 4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol (2Z)-but-2-enedioate

synonym RELATED

  • 4-((1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl)phenol maleate
  • alphaR-(4-hydroxyphenyl)-betaS-methyl-4-(phenylmethyl)-1-piperidinepropanol, 2Z-butenedioate
  • (alphaR,betaS)-alpha-(4-hydroxyphenyl)-beta-methyl-4-(phenylmethyl)-1-piperidinepropanol maleate
  • Ro 25-6981 (maleate)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180901

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