Alpha-Ergocryptine

Product Specifications

CAS Number

511-09-1

Synonyms

Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'α)-; Ergocryptine (6CI,8CI); (5'α)-12'-Hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)ergotaman-3',6',18-trione; 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3',6',18-trione deriv.; Indolo[4,3-fg]quinoline, ergotaman-3',6',18-trione deriv.; Ergokryptine; NSC 169479; NSC 407319; α-Ergocryptine; α-Ergokryptine; (6aR,9R)-N-[(2R,5S,10aS,10bS)-10b-Hydroxy-2-(1-methylethyl)-5-(2-methylpropyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide

Hazard Statement

Toxic if swallowed; UN number: UN1544; Packing Group: III

Purity

>95% (HPLC)

Smiles

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

Molecular Formula

C32 H41 N5 O5

Molecular Weight

575.7

InChI

InChI=1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1