CHEBI:31776 - lisuride maleate

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ChEBI Name lisuride maleate
ChEBI ID CHEBI:31776
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formulae C20H26N4O.C4H4O4
C24H30N4O5
Net Charge 0
Average Mass 454.51896
Monoisotopic Mass 454.22162
InChI InChI=1S/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t14-,18+;/m0./s1
InChIKey CVQFAMQDTWVJSV-BAXNFHPCSA-N
SMILES [H+].[H+].[O-]C(=O)\C=C/C([O-])=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@@H](CN2C)NC(=O)N(CC)CC)c34
ChEBI Ontology
Outgoing lisuride maleate (CHEBI:31776) has part lisuride (CHEBI:51164)
lisuride maleate (CHEBI:31776) is a maleate salt (CHEBI:50221)
IUPAC Name
1,1-diethyl-3-[(8α)-6-methyl-9,10-didehydroergolin-8-yl]urea (2Z)-but-2-enedioate
Synonyms Sources
3-(9,10-Didehydro-6-methylergolin-8-alpha-yl)-1,1-diethylurea maleate (1:1) ChemIDplus
3-(9,10-Didehydro-6-methylergolin-8-yl)-1,1-diethylurea hydrogen maleate ChemIDplus
Lisuride hydrogen maleate ChemIDplus
Lysenyl hydrogen maleate ChemIDplus
Urea, N'-((8-alpha)-9,10-didehydro-6-methylergolin-8-yl)-N,N-diethyl-, (Z)-2-butenedioate ChemIDplus
Manual Xrefs Databases
D01462 KEGG DRUG
DB00589 DrugBank
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Registry Numbers Types Sources
19875-60-6 CAS Registry Number ChemIDplus
4639837 Beilstein Registry Number Beilstein
Last Modified
10 December 2008