Compound Summary
Methylergonovine maleate
Compound Information
Methylergonovine maleate
Compound Name: | Methylergonovine maleate |
Compound CID: | 5281072 |
Synonyms: | Methylergonovine maleate Methylergometrine maleate 57432-61-8 UNII-IR84JPZ1RK Erezingen More... |
Iupac Name: | (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid |
InChI: | InChI=1S/C20H25N3O2.C4H4O4/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13;5-3(6)1-2-4(7)8/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25);1-2H,(H,5,6)(H,7,8)/b;2-1-/t13-,14+,18-;/m1./s1 |
InChIKey: | NOFOWWRHEPHDCY-DAUURJMHSA-N |
Canonical Smiles: | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
Isomeric Smiles: | CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O |
Molecular Weight: | 455.5 |
Molecular Formula: | C24H29N3O6 |
Compound Structure
2D Structure:
3D Structure:
Computed Properties
Methylergonovine maleate
Molecular Weight: | 455.5 |
Molecular Formula: | C24H29N3O6 |
Hydrogen Bond Donor Count: | 5 |
Hydrogen Bond Acceptor Count: | 7 |
Rotatable Bond Count: | 6 |
Heavy Atom Count: | 33 |
Complexity: | 668 |
Synonyms
Methylergonovine maleate
| Methylergonovine maleate | Methylergonovine maleate |
|---|---|
Methylergonovine maleate |
Methylergometrine maleate |
57432-61-8 |
UNII-IR84JPZ1RK |
Erezingen |
Methylergobasine maleate |
IR84JPZ1RK |
Methylergometrine (maleate) |
Methylergonovine maleate USP |
Methylergonovine maleate (USP) |
USAF uctl-8 |
Methylergonovine maleate salt |
Maleic acid, methyl ergonovine |
Methergine maleate salt |
EINECS 260-734-4 |
Ergonovine, methyl-, maleate (1:1) |
Methergine maleate |
Methergine (TN) |
9,10-Didehydro-N-((S)-1-(hydroxymethyl)propyl)-6-methylergoline-8beta-carboxamide maleate (1:1) (salt) |
SCHEMBL239437 |
SPECTRUM1500404 |
CHEBI:6874 |
CHEMBL1200843 |
HMS501B19 |
DTXSID00904978 |
Methylergometrine maleate (JP17) |
HMS1920N11 |
HMS2091F22 |
HMS2096K09 |
HMS3262O10 |
HMS3414F15 |
HMS3678F15 |
HMS3713K09 |
METHYLERGONOVINIUM BIMALEATE |
Pharmakon1600-01500404 |
Tox21_500794 |
CCG-39168 |
MFCD00078588 |
NSC757104 |
AKOS024282479 |
LP00794 |
NSC 757104 |
NSC-757104 |
NCGC00261479-01 |
Ergoline-8-carboxamide, 9,10-didehydro-N-((1S)-1-(hydroxymethyl)propyl)-6-methyl-, (8beta)-, (2Z)-2-butenedioate (1:1) (salt) |
Ergoline-8-carboxamide, 9,10-didehydro-N-(1-(hydroxymethyl)propyl)-6-methyl-, (8beta(S))-, (Z)-2-butenedioate (1:1) (salt) |
ST056347 |
HY-100988 |
B6347 |
CS-0020668 |
EU-0100794 |
D00680 |
M 2776 |
432M618 |
Q27280864 |
Methylergometrine maleate, European Pharmacopoeia (EP) Reference Standard |
8?(S)-9,10-Didehydro-N-1-(hydroxymethyl)propyl-6-methylergoline-8-carboxamide maleate |
Methylergometrine for system suitability, European Pharmacopoeia (EP) Reference Standard |
Methylergonovine maleate, United States Pharmacopeia (USP) Reference Standard |
9,10-Didehydro-N-(S)-1-(hydroxymethyl)propyl-6-methylergoline-8beta-carboxamide maleate salt |
Experimental Data
Methylergonovine 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 | 28.000000000000000 | S | N2 | 33683565 | Active | ||||||
| Caenorhabditis elegans | 88.000000000000000 | umol/L | 28.000000000000000 | S | N2 | 24134630 | Active |
Experimental Data Visualization
Methylergonovine maleate
Statistics Data
Methylergonovine maleate
| Species | Avg/Med Lifespan Change(%) | Max Lifespan Change(%) | Count Reference | Count Data point |
|---|---|---|---|---|
| Caenorhabditis elegans | 28.000000000000000 | 2 | 2 |
Statistics Data Visualization
Methylergonovine maleate
