Ergocryptine

CAS: 511-09-1

Ref. 04-C13201270

Product Information

• Name: Ergocryptine
• Synonyms: Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'a)-, Ergocryptine (6CI,8CI), (5'a)-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, a-Ergocryptine, a-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, (2'Xi,12'Xi)-12'-Hydroxy-5'-(2-Methylpropyl)-3',6',18-Trioxo-2'-(Propan-2-Yl)Ergotaman, (5'Alpha)-12'-Hydroxy-5'-(2-Methylpropyl)-3',6',18-Trioxo-2'-(Propan-2-Yl)Ergotaman, (5′α)-12′-Hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)ergotaman-3′,6′,18-trione, 12'-Hydroxy-5'-(2-Methylpropyl)-3',6',18-Trioxo-2'-(Propan-2-Yl)Ergotaman, 8H-Oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine, ergotaman-3′,6′,18-trione deriv., ALPHA-Ergocryptine, Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(2-methylpropyl)-, (5′α)-, Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv., α-Ergokryptine
• Brand: Doctor Ehrenstorfer

Chemical properties

• Molecular weight: 575.70
• Formula: C₃₂H₄₁N₅O₅
• Color/Form: Neat
• 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
• InChI key: InChIKey=YDOTUXAWKBPQJW-NSLWYYNWSA-N
• SMILES: CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12