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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > ergoline alkaloid > methysergide maleate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > ergoline alkaloid > methysergide maleate

Preferred term

methysergide maleate  

Type

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

Broader concept

charge

  • 0

formula

  • C21H27N3O2.C4H4O4
  • C25H31N3O6

inchi

  • InChI=1S/C21H27N3O2.C4H4O4/c1-4-15(12-25)22-21(26)14-8-17-16-6-5-7-18-20(16)13(10-23(18)2)9-19(17)24(3)11-14;5-3(6)1-2-4(7)8/h5-8,10,14-15,19,25H,4,9,11-12H2,1-3H3,(H,22,26);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,15+,19-;/m1./s1

inchikey

  • LWYXFDXUMVEZKS-ZVFOLQIPSA-N

mass

  • 469.531

monoisotopicmass

  • 469.22129

smiles

  • C1=2C=3C=4[C@](N(C[C@@H](C4)C(N[C@@H](CC)CO)=O)C)(CC1=CN(C2C=CC3)C)[H].C(=C/C(O)=O)/C(O)=O

subset

  • 2_STAR

synonym EXACT

  • Methysergide maleate

synonym RELATED

  • Sansert (TN)

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:6894

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