METHYSERGIDE MALEATE

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Trade Names
Synonyms
Status
Molecule Category Mixture
UNII 2U7H1466GH

Structure

InChI Key LWYXFDXUMVEZKS-TZTNOGQLSA-N
Smiles CCC(CO)NC(=O)[C@@H]1C=C2c3cccc4c3c(cn4C)C[C@H]2N(C)C1.O=C(O)/C=C\C(=O)O
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H31N3O6
Molecular Weight 469.54
AlogP 1.94
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 57.5
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 26.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1a (5-HT1a) receptor partial agonist PARTIAL AGONIST ISBN PubMed

Target Conservation

Protein: Serotonin 1a (5-HT1a) receptor
Description: 5-hydroxytryptamine receptor 1A
Organism : Homo sapiens
P08908 ENSG00000178394
Protein: Serotonin 2c (5-HT2c) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin 2b (5-HT2b) receptor
Description: 5-hydroxytryptamine receptor 2B
Organism : Homo sapiens
P41595 ENSG00000135914

Cross References

Resources Reference
ChEBI 584020
ChEMBL CHEMBL3989558
FDA SRS 2U7H1466GH
Guide to Pharmacology 134
KEGG C07199
PubChem 5281073
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