E131

Ergocornine

>95%, solid

• Synonym(s): 12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione
• Empirical Formula (Hill Notation): C₃₁H₃₉N₅O₅
• CAS Number: 564-36-3
• Molecular Weight: 561.67
• EC Number: 209-272-7
• MDL number: MFCD00274574
• PubChem Substance ID: 24894401

Properties

• assay: >95%
• form: solid
• optical activity: [α]/D −105.6°, c = 0.85 in pyridine(lit.)
• color: white
• solubility: 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL; ethanol: 1.02 mg/mL; DMSO: 6.5 mg/mL; H₂O: insoluble
• SMILES string: [H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]5(O[C@]6(O)N([C@@H](C(C)C)C(=O)N7CCC[C@@]67[H])C5=O)C(C)C)c34
• InChI: 1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1
• InChI key: UJYGDMFEEDNVBF-OGGGUQDZSA-N

Description

Packaging

25, 100 mg

Biochem/physiol Actions

Dopamine receptor agonist; ergot alkaloid.