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Lisuride maleate

CAT: 0926-FL24912-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FL24912-01Size:5 mg
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CAS Number
19875-60-6
Synonyms
1,1-Diethyl-3- ((6aR,9S) -7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-9-yl) urea maleate; N'-[ (8α) -9,10-Didehydro-6-methylergo lin-8-yl]-N, N-diethylurea maleate; (+) - (5R,8S) -Lisuride maleate
MDL Number
MFCD28988845
Smiles
CCN (CC) C (=O) N[C@@H]1CN ([C@@H]2CC3=CNC4=CC=CC (=C34) C2=C1) C.C (=C\C (=O) O) \C (=O) O
Molecular Formula
C20H26N4O•C4H4O4
Molecular Weight
454.52 g/mol
Controlled
No

Chemical Information

Lisuride Maleate

See also: Lisuride (has active moiety).

CAS Number19875-60-6
PubChem CID5282421
IUPAC Name3-[(6aR,9S)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,1-diethylurea;(Z)-but-2-enedioic acid
Molecular FormulaC24H30N4O5
Molecular Weight454.5
Topological Polar Surface Area126
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count33
Formal Charge0
Complexity663
SMILES
CCN(CC)C(=O)N[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O
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
InChIKey
CVQFAMQDTWVJSV-BAXNFHPCSA-N
Chemical Structure
2D Structure
2D structure of Lisuride Maleate
CAS: 19875-60-6
CID: 5282421
Formula: C24H30N4O5
MW: 454.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass454.22162007
Monoisotopic Mass454.22162007
Topological Polar Surface Area126 Ų
Heavy Atom Count33
Formal Charge0
Complexity663
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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318157Lisuride Maleate
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