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Lisuride
[CAS# 18016-80-3]

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Identification
Name Lisuride
Synonyms 1,1-Diethyl-3-[(8Alpha)-6-Methyl-9,10-Didehydroergolin-8-Yl]Urea; Prestwick3_000106; Bpbio1_000102
Molecular Structure CAS#: 18016-80-3, Lisuride
Molecular Formula C20H26N4O
Molecular Weight 338.45
CAS Registry Number 18016-80-3
EINECS 241-925-1
SMILES [C@@H]14C(=C[C@H](NC(N(CC)CC)=O)CN1C)C2=CC=CC3=C2C(=C[NH]3)C4
InChI 1S/C20H26N4O/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/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1
InChIKey BKRGVLQUQGGVSM-KBXCAEBGSA-N
Properties
Density 1.2±0.1g/cm3 (Cal.)
Boiling point 603.4±55.0°C at 760 mmHg (Cal.)
Flash point 318.7±31.5°C (Cal.)
solubility Soluble to 100 mM in DMSO
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