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Substance Name: Sergolexole maleate [USAN]
RN: 108674-87-9
UNII: XD5AHA648Y
InChIKey: AWRYUNKJBYLYFR-RTFBGVDVSA-N

Classification Code

  • Antimigraine

Molecular Formula

  • C26-H36-N2-O3.C4-H4-O4

Molecular Weight

  • 540.653
 
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Names and Synonyms

Name of Substance

  • Sergolexole
  • Sergolexole maleate [USAN]

Synonyms

  • Ergoline-8-carboxylic acid, 6-methyl-1-(1-methylethyl)-, 4-methoxycyclohexyl ester, (8beta(trans))-, (Z)-2-butenedioate (1:1)
  • LY281067
  • Sergolexole maleate
  • trans-4-Methoxycyclohexyl 1-isopropyl-6-methylergoline-8beta-carboxylate, maleate (1:1)
  • UNII-XD5AHA648Y

Systematic Name

  • Ergoline-8-carboxylic acid, 6-methyl-1-(1-methylethyl)-, 4-methoxycyclohexyl ester, (8beta(trans))-, (Z)-2-butenedioate (1:1)

Registry Numbers

CAS Registry Number

  • 108674-87-9

FDA UNII

  • XD5AHA648Y

System Generated Number

  • 0108674879

Molecular Formulas

Molecular Formula

  • C26-H36-N2-O3.C4-H4-O4

Molecular Formula Fragments

  • C26-H36-N2-O3
  • C4-H4-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C26H36N2O3.C4H4O4/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20;5-3(6)1-2-4(7)8/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19-,20-,22-,24-;/m1./s1

InChIKey

AWRYUNKJBYLYFR-RTFBGVDVSA-N

Smiles

CO[C@@H]1CC[C@H](CC1)OC(=O)[C@@H]2C[C@H]3[C@@H](Cc4cn(C(C)C)c5cccc3c45)N(C)C2.OC(=O)\C=C/C(=O)O