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CHEBI:754938 - ergoloid mesylates

Default Structure
ChEBI IDCHEBI:754938
ChEBI Nameergoloid mesylates
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCH4O3S.C31H41N5O5.CH4O3S.C35H41N5O5.C32H43N5O5.C32H43N5O5.CH4O3S.CH4O3S
Net Charge0
Average Mass2715.322
Monoisotopic Mass2713.22684
SMILESCS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.CS(=O)(=O)O.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C(=O)N[C@]1(C(C)C)O[C@]3(O)N(C1=O)[C@@]([H])(C(C)C)C(=O)N1CCC[C@]13[H])CN2C.[H][C@@]12Cc3cnc4cccc(c34)[C@@]1([H])C[C@@H](C(=O)N[C@]1(C(C)C)O[C@]3(O)N(C1=O)[C@@]([H])(C(C)CC)C(=O)N1CCC[C@]13[H])CN2C.[H][C@]1(CC(C)C)C(=O)N2CCC[C@@]2([H])[C@]2(O)O[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5cnc6cccc(c56)[C@@]4([H])C3)(C(C)C)C(=O)N12.[H][C@]1(Cc2ccccc2)C(=O)N2CCC[C@@]2([H])[C@]2(O)O[C@](NC(=O)[C@H]3CN(C)[C@]4([H])Cc5cnc6cccc(c56)[C@@]4([H])C3)(C(C)C)C(=O)N12
InChIInChI=1S/C35H41N5O5.2C32H43N5O5.C31H41N5O5.4CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20;1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;4*1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38);7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38);6,8-9,14,16-17,19,21,23-24,26,32,40H,7,10-13,15H2,1-5H3,(H,33,37);4*1H3,(H,2,3,4)/t23-,25-,27-,28+,29+,34-,35+;20-,22-,24-,25+,26+,31-,32+;18?,20-,22-,24-,25+,27+,31-,32+;19-,21-,23-,24+,26+,30-,31+;;;;/m1111..../s1
InChIKeyPBKVEOSEPXMKDN-LZHUFOCISA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
cardiovascular drug  A drug that affects the rate or intensity of cardiac contraction, blood vessel diameter or blood volume.
ChEBI Ontology
Outgoing Relation(s)
ergoloid mesylates (CHEBI:754938) has role cardiovascular drug (CHEBI:35554)
ergoloid mesylates (CHEBI:754938) is a peptide ergot alkaloid (CHEBI:25904)
Synonym  Source
Ergoloid mesilatesChEMBL
Brand Names  Source
AlkergotChEMBL
CircanolChEMBL
DeaprilChEMBL
Deapril-stChEMBL
GerimalChEMBL
HydergineChEMBL