Ergocristine

CAS: 511-08-0

Ref. TR-E597450

Product Information

• Name: Ergocristine
• Synonyms: (5'α)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione, Ergocrystine, NSC 93743, (5'Alpha)-5'-Benzyl-12'-Hydroxy-3',6',18-Trioxo-2'-(Propan-2-Yl)Ergotaman, (5′α)-12′-Hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)ergotaman-3′,6′,18-trione, 5'-Benzyl-12'-Hydroxy-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., Brn 0079046, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'-alpha)-, Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'alpha)- (9CI), Ergotaman-3′,6′,18-trione, 12′-hydroxy-2′-(1-methylethyl)-5′-(phenylmethyl)-, (5′α)-, Indolo[4,3-fg]quinoline, ergotaman-3′,6′,18-trione deriv., Nsc 93743
• CAS: 511-08-0

Description

Applications A derivative of lysergic acid and a natural ergot alkaloid which is a member of the ergotoxine group. Its intraocular pressure lowering effect makes it potential candidate for future applications in ocular pharmacology.
References Puras, G. et al.: J. Ocul. Pharmacol., 18, 41 (2002); Mainka, S. et al.: Arch. Anim. Nutrit., 59, 377 (2005); Puras, G.: Alkaloids, 37 (2010);

• Brand: TRC

Chemical properties

• Molecular weight: 609.71
• Formula: C₃₅H₃₉N₅O₅
• Color/Form: Neat
• InChI: InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28+,29+,34-,35+/m1/s1
• InChI key: InChIKey=HEFIYUQVAZFDEE-MKTPKCENSA-N
• SMILES: CC(C)[C@@]1(NC(=O)[C@@H]2C=C3c4cccc5[nH]cc(c45)C[C@H]3N(C)C2)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](Cc3ccccc3)N2C1=O