Compound Summary
Methysergide maleate
Compound Information
Methysergide maleate
Compound Name: | Methysergide maleate |
Compound CID: | 5281073 |
Synonyms: | Methysergide maleate 129-49-7 Methysergide hydrogen maleate Methysergide maleate salt Deseril-retard More... |
Iupac Name: | (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid |
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 |
Canonical Smiles: | CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 469.5 |
Molecular Formula: | C25H31N3O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Methysergide maleate
Molecular Weight: | 469.5 |
Molecular Formula: | C25H31N3O6 |
Hydrogen Bond Donor Count: | 4 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 34 |
Complexity: | 697 |
Synonyms
Methysergide maleate
| Methysergide maleate | Methysergide maleate |
|---|---|
Methysergide maleate |
129-49-7 |
Methysergide hydrogen maleate |
Methysergide maleate salt |
Deseril-retard |
UNII-2U7H1466GH |
Desernil bismaleate |
Methysergide maleate USP |
129-49-7 (maleate) |
2U7H1466GH |
C25H31N3O6 |
Methysergide maleate (USP) |
Methysergide bimaleate |
1-Methyl-D-lysergic acid butanolamide dimaleate |
MLS000069364 |
(6aR,9R)-N-(2S)-1-hydroxybutan-2-yl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo4,3-fgquinoline-9-carboxamide; maleate (1:1) |
Ergoline-8-carboxamide,9,10-didehydro-N-(1S)-1-(hydroxymethyl)propyl-1,6-dimethyl-, (8b)-,(2Z)-2-butenedioate (1:1) (salt) |
SMR000058483 |
EINECS 204-950-9 |
NSC 186061 |
Sansert (TN) |
Lysergamide, N-((1-hydroxymethyl)propyl)-1-methyl-, maleate |
METHYSERGIDEMALEATE |
regid855989 |
(+)-N-((1-Hydroxymethyl)propyl)-1-methyl-D-lysergamide bimaleate |
(6aR,9R)-N-(2S)-1-hydroxybutan-2-yl-4,7-dimethyl-6,6a,8,9-tetrahydroindolo4,3-fgquinoline-9-carboxamide;(Z)-but-2-enedioic acid |
1-(Hydroxymethyl)propylamide of 1-methyl-(+)-lysergic acid hydrogen maleate |
9,10-Didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethylergoline-8beta-carboxamide maleate (1:1) (salt) |
MLS001076153 |
CHEBI:6894 |
CHEMBL1200938 |
Methysergide maleate salt, solid |
SCHEMBL21803661 |
DTXSID901017106 |
HMS2093N13 |
HMS2231L15 |
HMS3262N07 |
HMS3414J11 |
HMS3678J09 |
HMS3887O05 |
Pharmakon1600-01505492 |
Tox21_500863 |
MFCD00083185 |
NSC759143 |
AKOS024456362 |
CCG-213467 |
LP00863 |
NSC-759143 |
NCGC00261548-01 |
Ergoline-8-beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, maleate (1:1) (salt) |
Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-, (2Z)-2-butenedioate (1:1) (salt) |
Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, (8beta)-, (Z)-2-butenedioate (1:1) (salt) |
SMR000653472 |
EU-0100863 |
M-137 |
D00681 |
SR-01000002986 |
SR-01000002986-2 |
Q27255601 |
Methysergide maleate, United States Pharmacopeia (USP) Reference Standard |
8?(S)-9,10-Didehydro-N-1-(hydroxymethyl)propyl-1,6-dimethylergoline-8-carboxamide maleate |
8beta(S)-9,10-Didehydro-N-1-(hydroxymethyl)propyl-1,6-dimethylergoline-8-carboxamide maleate |
Ergoline-8beta-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-1,6-dimethyl-, maleate (1:2) (salt) (8CI) |
Experimental Data
Methysergide maleate
| Species | Dose | Unit | Control(Avg days) | Treatment(Avg days) | Avg/Med Lifespan Change(%) | Control(Max days) | Treatment(Max days) | Max Lifespan Change(%) | Significant | Strain | Gender | PubMed | Avg/Med Lifespan Change tab |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Caenorhabditis elegans | 33.000000000000000 | umol/L | -1.000000000000000 | NS | N2 | 24134630 | Inactive |
Experimental Data Visualization
Methysergide maleate
Statistics Data
Methysergide maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | -1.000000000000000 | 1 | 1 |
Statistics Data Visualization
Methysergide maleate
