CAS 511-08-0

Ergocristine

Description:

Ergocristine is a naturally occurring alkaloid derived from the ergot fungus, specifically from the species Claviceps purpurea. It is part of the broader group of ergot alkaloids, which are known for their complex structures and diverse biological activities. Ergocristine exhibits a range of pharmacological effects, including vasoconstriction and modulation of neurotransmitter release, making it of interest in both medicinal chemistry and pharmacology. The compound has a molecular formula that reflects its intricate structure, which includes multiple rings and nitrogen atoms. Ergocristine is often studied for its potential therapeutic applications, particularly in the treatment of migraine headaches and other vascular disorders. However, it is also associated with various side effects and toxicity concerns, necessitating careful consideration in its use. As with many alkaloids, its activity can be influenced by factors such as dosage, formulation, and individual patient response. Overall, ergocristine represents a significant compound within the realm of natural products and medicinal chemistry.

Formula: C₃₅H₃₉N₅O₅

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: O[C@@]12N([C@@H](CC3=CC=CC=C3)C(=O)N4[C@]1(CCC4)[H])C(=O)[C@@](NC(=O)[C@@H]5C=C6C=7C=8C(C[C@]6(N(C)C5)[H])=CNC8C=CC7)(C(C)C)O2

Synonyms:

• (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
• Ergocrystine
• 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
• Ergocristine

Ergocristine

CAS: 511-08-0

Ergocristine

Formula: C₃₅H₃₉N₅O₅

Purity: By hplc: 98.56% (Typical Value in Batch COA)

Color and Shape: off-white powder

Molecular weight: 609.71g/mol

Ref: 54-BIE9703

Ergocristine

Controlled Product

CAS: 511-08-0

Formula: C₃₅H₃₉N₅O₅

Color and Shape: Neat

Molecular weight: 609.71

Ref: 04-C13201250

Ergocristine

CAS: 511-08-0

Formula: C₃₅H₃₉N₅O₅

Molecular weight: 609.73

Ref: 4Z-E-088008

Ergocristine

CAS: 511-08-0

Ergot alkaloid

Formula: C₃₅H₃₉N₅O₅

Purity: ≥ 95.0 % (HPLC)

Color and Shape: Powder

Molecular weight: 609.73

Ref: 5G-80440

Ergocristine

Controlled Product

CAS: 511-08-0

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);

Formula: C₃₅H₃₉N₅O₅

Color and Shape: White To Light Yellow

Molecular weight: 609.71

Ref: TR-E597450

Ergocristine

Controlled Product

CAS: 511-08-0

Ergocristine is a fatty acid that is the primary component of ergot, which is a fungus that grows on rye. Ergot has been used for many centuries to treat migraines and other conditions. Ergocristine has been found to be toxic in many animal studies, with LD50s ranging from 4-10 mg/kg. The LD50 values for ergocryptine are much lower at 0.5-2 mg/kg, indicating that ergocryptine is more potent than ergocristine. The chemical structure of ergocryptine is similar to that of ergotamine, which has also shown some toxicity in animal studies, but not as much as ergocristine. In order to test the toxicity of ergocryptine, a dispersive solid-phase extraction (DSPE) technique was used to extract samples from human blood cells and hematopoietic cells. These samples were then analyzed by LC-MS/

Formula: C₃₅H₃₉N₅O₅

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 609.72 g/mol

Ref: 3D-FE22781

Dihydroergocristine Mesilate EP Impurity K

CAS: 511-08-0

Formula: C₃₅H₃₉N₅O₅

Molecular weight: 609.73

Ref: ST-EA-CP-D107011