Formamido (5'α,10α)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone

Ref. TR-F735555

Produktinformation

• Name: Formamido (5'α,10α)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone
• Synonyme: (2R,4aR)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-formamido-4-methyl-6-oxo-1,2,3,4a,5,10b-hexahydrobenzo[f]quinoline-2-carboxamide

Beschreibung

Applications Formamido (5'α,10α)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone is an intermediate in synthesizing (5'α,10α)-1-Demethyl-9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-2,3(2H,3H)-secoergotaman-3,3',6',18-tetrone (D231050). It is a derivative of dihydroergotamine (D449080), a ergot alkaloid used to treat migraines.
References Stadler, P.A., et al.: Euro. J. Med. Chem., 16, 349 (1981);

• Marke: TRC

Chemische Eigenschaften

• Molekulargewicht: 615.676
• Formel: C₃₃H₃₇N₅O₇
• Farbe/Form: Neat
• InChl: InChI=1S/C33H37N5O7/c1-32(31(43)38-25(14-19-8-4-3-5-9-19)30(42)37-13-7-12-27(37)33(38,44)45-32)35-29(41)20-15-22-21-10-6-11-23(34-18-39)28(21)26(40)16-24(22)36(2)17-20/h3-6,8-11,18,20,22,24-25,27,44H,7,12-17H2,1-2H3,(H,34,39)(H,35,41)/t20-,22?,24-,25+,27+,32-,33+/m1/s1
• InChI Key: InChIKey=FXQKDIHEWMCJQC-GCIHBYQTSA-N
• SMILES: CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)CC2c3cccc(NC=O)c3C(=O)C[C@H]21