Ergocornin

Base Information

Chemical Name:Ergocornin
CAS No.:564-36-3
Molecular Formula:C31H39 N5 O5
Molecular Weight:561.681
Hs Code.:
NSC Number:407316
DSSTox Substance ID:DTXSID40971841
ChEMBL ID:CHEMBL1972911
Mol file:564-36-3.mol

Synonyms:Ergocornin;NSC407316;(8alpha)-12'-Hydroxy-2',5'alpha-diisopropylergotaman-3',6',18-trione;Ergocorninin;N-[2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-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;C31H39N5O5;NSC-407316;CHEMBL1972911;DTXSID40971841;(5'-alpha)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione;UJYGDMFEEDNVBF-UHFFFAOYSA-N;(6aR,9R)-N-[(1S,2S,4R,7S)-2-hydroxy-5,8-dioxo-4,7-di(propan-2-yl)-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;NCI60_003880;12'-Hydroxy-2',5'-diisopropyl-3',6',18-trioxoergotaman #;12'-Hydroxy-2',5'-.alpha.-bis(1-methylethyl)ergotaman-3',6',18-trione;(5'.alpha.)-12'-Hydroxy-2',5'-bis(1-methylethyl)ergotaman-3',6',18-trione;Ergotaman-3',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-;Ergotaman-3',6',18-trione, 12'-hydroxy-2',5'-bis(1-methylethyl)-, (5'.alpha.)-;N-[10b-Hydroxy-3,6-dioxo-2,5-di(propan-2-yl)octahydro-8H-[1,3]oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-6-methyl-9,10-didehydroergoline-8-carboximidic acid

Suppliers and Price of Ergocornin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Ergocornine
5mg
$ 29140.00

American Custom Chemicals Corporation
ERGOCORNINE 95.00%
50MG
$ 17325.00

American Custom Chemicals Corporation
ERGOCORNINE 95.00%
10MG
$ 11838.75

Total 1 raw suppliers

Chemical Property of Ergocornin

Chemical Property:

Vapor Pressure:2.18E-31mmHg at 25°C
Melting Point:182-184℃ (decomposition) (methanol )
Refractive Index:1.7500 (estimate)
Boiling Point:858.3°Cat760mmHg
PKA:9.58±0.60(Predicted)
Flash Point:472.9°C
Density:1.4g/cm³
Solubility.:45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL
XLogP3:2.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:561.29511936
Heavy Atom Count:41
Complexity:1170

Purity/Quality:

98% ^*data from raw suppliers

Ergocornine ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
Uses Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine was isolated from Ergot. Ergocornine is a natural ergot alkaloid derived from lysergic acid. Ergocornine is a component of Ergotoxine. Ergocornine is isolated from Ergot.

Technology Process of Ergocornin

There total 2 articles about Ergocornin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: