Ergosine

Name: Ergosine
Brand: Vaqora Chemicals
SKU: VQ-040879

About Ergosine

Ergosine (CAS 561-94-4) is a high-purity reference standard of Allopurinol offered by Vaqora Chemicals. The compound has the formula C30H37N5O5, corresponding to a molecular weight of 547.6 g/mol. It is also known as alpha-Ergosine or ergosin.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Under GHS it is labelled “Danger”, so handle it with suitable PPE and consult the SDS.

As a reference sample of Allopurinol, it is used for identification, assay and impurity-profiling work during analytical method development, validation (AMV) and routine QC. Buyers come mainly from pharmaceutical manufacturing and academic and industrial research.

Available in 10 mg, 25 mg, 50 mg and 100 mg packs, Ergosine is dispatched with a Certificate of Analysis (COA) to destinations worldwide.

Typical applications

Identification & assay
Method development & validation
QC reference material

Industries

Related to Allopurinol

View every impurity, metabolite and intermediate we list for Allopurinol.

Allopurinol impurities

Specifications & identifiers

Chemical identifiers
Product name	Ergosine
Catalogue No.	VQ-040879
CAS Number	561-94-4
IUPAC name	(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-4-methyl-7-(2-methylpropyl)-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Molecular formula	C₃₀H₃₇N₅O₅
Molecular weight	547.6 g/mol
Exact mass	547.2795
Grade	Reference Standard
HSN code	38229090
InChIKey	NESVMZOPWPCFAU-ZPRCMDFASA-N
SMILES	CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
PubChem CID	105137

Physical properties
Physical form	Solid
LogP (XLogP3)	1.8
H-bond donors / acceptors	3 / 6
TPSA	118 Å²
Synonyms	alpha-Ergosine, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman, 12'-hydroxy-2'-methyl-5' alpha-(2-methylpropyl)-8 alpha-ergotaman-3',6',18-trione, (5'alpha)-12'-hydroxy-5'-isobutyl-2'-methyl-3',6',18-trioxoergotaman, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione, ergosin, Ergosine (Ergoclavine), Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-, (5'-alpha)-, 12'-Hydroxy-2'-methyl-5'alpha-(2-methylpropyl)-3',6',18-trioxoergotaman

Safety & hazard information (GHS)

Toxic

Signal word: Danger

Hazard statements

H301Toxic if swallowed

Precautionary statements: P264, P270, P301 + P316, P321, P330, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Ergosine?

The CAS Registry Number of Ergosine is 561-94-4. It is also known as alpha-Ergosine, (5'alpha)-12'-hydroxy-2'-methyl-5'-(2-methylpropyl)-3',6',18-trioxoergotaman, 12'-hydroxy-2'-methyl-5' alpha-(2-methylpropyl)-8 alpha-ergotaman-3',6',18-trione.

What is the molecular formula and molecular weight of Ergosine?

Ergosine has the molecular formula C30H37N5O5 and a molecular weight of 547.6 g/mol.

What is Ergosine used for?

Ergosine is supplied as a characterised reference material related to Allopurinol. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of Ergosine can I order?

We supply Ergosine in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Ergosine?

Yes. Every lot of Ergosine is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Ergosine be shipped internationally?

Yes. Ergosine is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.