M167

Metergolin

• Synonym(e): N-CBZ-[(8β)-1,6-Dimethylergolin-8-yl]methylamine, [(8β)-1,6-Dimethylergolin-8-yl)methyl]carbamic acid phenylmethyl ester
• Empirische Formel (Hill-System): C₂₅H₂₉N₃O₂
• CAS-Nummer: 17692-51-2
• Molekulargewicht: 403.52
• EC Number: 241-686-3
• UNSPSC Code: 12352103
• MDL number: MFCD00153829

Eigenschaften

• mp: 148-150 °C (lit.)
• SMILES string: [H][C@]2(CNC(=O)OCc1ccccc1)CN(C)[C@]3([H])Cc4cn(C)c5cccc(c45)[C@@]3([H])C2
• InChI: 1S/C25H29N3O2/c1-27-14-18(13-26-25(29)30-16-17-7-4-3-5-8-17)11-21-20-9-6-10-22-24(20)19(12-23(21)27)15-28(22)2/h3-10,15,18,21,23H,11-14,16H2,1-2H3,(H,26,29)/t18-,21+,23+/m0/s1
• InChI key: WZHJKEUHNJHDLS-QTGUNEKASA-N

Beschreibung