MedKoo Cat#: 146103 | Name: Ergoclavinine

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Ergoclavinine is a naturally occurring alkaloid found in certain species of fungi, particularly those in the Claviceps genus. It is primarily known for its potential to influence the central nervous system, with applications in treating disorders like migraines and improving blood circulation. Ergoclavinine exerts its effects through its interaction with serotonin and dopamine receptors, modulating neurotransmitter activity and vasoconstriction.

Chemical Structure

Ergoclavinine
Ergoclavinine
CAS#596-88-3

Theoretical Analysis

MedKoo Cat#: 146103

Name: Ergoclavinine

CAS#: 596-88-3

Chemical Formula: C30H37N5O5

Exact Mass: 547.2795

Molecular Weight: 547.66

Elemental Analysis: C, 65.79; H, 6.81; N, 12.79; O, 14.61

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
Ergoclavinine;
IUPAC/Chemical Name
(6aR,9S)-N-((2R,5S,10aS,10bS)-10b-hydroxy-5-isobutyl-2-methyl-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
InChi Key
NESVMZOPWPCFAU-YTVPIDCWSA-N
InChi Code
1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23-,24-,29+,30-/m0/s1
SMILES Code
[H][C@@]12CCCN1C(=O)[C@H](CC(C)C)N3C(=O)[C@](C)(NC(=O)[C@@H]4CN(C)[C@]5([H])CC6=CNC7=CC=CC(=C67)C5=C4)O[C@@]23O
Appearance
To be determined
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 -4 C for short term (days to weeks) or -20 C for long term(months to years).
Solubility
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 547.66 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL