Lysuride maleateProduct ingredient for Lisuride

Name
Lysuride maleate
Drug Entry
Lisuride

An ergot derivative that acts as an agonist at dopamine D2 receptors (dopamine agonists). It may also act as an antagonist at dopamine D1 receptors, and as an agonist at some serotonin receptors (serotonin agonists).

Accession Number
DBSALT001034
Structure
Synonyms
Not Available
UNII
UV1635N8XW
CAS Number
19875-60-6
Weight
Average: 454.527
Monoisotopic: 454.221620082
Chemical Formula
C24H30N4O5
InChI Key
CVQFAMQDTWVJSV-BAXNFHPCSA-N
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
IUPAC Name
(2Z)-but-2-enedioic acid; 3,3-diethyl-1-[(4S,7R)-6-methyl-6,11-diazatetracyclo[7.6.1.0^{2,7}.0^{12,16}]hexadeca-1(16),2,9,12,14-pentaen-4-yl]urea
SMILES
OC(=O)\C=C/C(O)=O.CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1
ChemSpider
4445576
ChEBI
31776
ChEMBL
CHEMBL1257128
Predicted Properties
PropertyValueSource
Water Solubility0.14 mg/mLALOGPS
logP2.37ALOGPS
logP2.17Chemaxon
logS-3.4ALOGPS
pKa (Strongest Acidic)15.36Chemaxon
pKa (Strongest Basic)6.88Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area51.37 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity101.81 m3·mol-1Chemaxon
Polarizability38.81 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon