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Merck
CN

E131

Ergocornine

>95%, solid

Synonym(s):

12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione

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About This Item

Empirical Formula (Hill Notation):
C31H39N5O5
CAS Number:
564-36-3
Molecular Weight:
561.67
UNSPSC Code:
12352200
PubChem Substance ID:
24894401
EC Number:
209-272-7
MDL number:
MFCD00274574

Key Documents

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InChI key

UJYGDMFEEDNVBF-OGGGUQDZSA-N

InChI

1S/C31H39N5O5/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37)/t19-,23-,24+,26+,30-,31+/m1/s1

SMILES string

[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@]5(O[C@]6(O)N([C@@H](C(C)C)C(=O)N7CCC[C@@]67[H])C5=O)C(C)C)c34

assay

>95%

form

solid

optical activity

[α]/D −105.6°, c = 0.85 in pyridine(lit.)

color

white

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.4 mg/mL, ethanol: 1.02 mg/mL, DMSO: 6.5 mg/mL, H2O: insoluble

Biochem/physiol Actions

Dopamine receptor agonist; ergot alkaloid.

Storage Class

6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
079K1307
019K1701
068K1110
037K1312
096K1113

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Francesca Debegnach et al.
Foods (Basel, Switzerland), 8(5) (2019-05-06)
Genus Claviceps is a plant pathogen able to produce a group of toxins, ergot alkaloids (EAs), whose effects have been known since the Middle Ages (ergotism). Claviceps purpurea is the most important representative specie, known to infect more than 400
J T Uilenbroek
Journal of reproduction and fertility, 86(1), 327-333 (1989-05-01)
Injection of an ovulation-blocking dose of pentobarbitone sodium given in the early afternoon of pro-oestrus in rats decreased follicular oestradiol production in vitro the next day (2.42 +/- 0.11 ng/4 h/follicle in pro-oestrous rats, 0.49 +/- 0.04 ng/4 h/follicle in
Madeleine Gross et al.
Journal of AOAC International, 101(3), 618-626 (2017-10-02)
Four sets of polyclonal antibodies against ergot alkaloids ergometrine, ergotamine, α-ergocryptine, and ergocornine were produced and characterized in a competitive direct or indirect enzyme immunoassay (EIA). Standard curve LODs were 0.03 ng/mL (ergometrine EIA) to 2.0 ng/mL (ergocornine EIA). Three
Lorenzo Celio et al.
Frontiers in chemistry, 9, 626630-626630 (2021-03-23)
A novel flow injection microfluidic immunoassay system for continuous monitoring of saxitoxin, a lethal biotoxin, in seawater samples is presented in this article. The system consists of a preimmobilized G protein immunoaffinity column connected in line with a lab-on-chip setup.
Karl De Ruyck et al.
Environment international, 137, 105539-105539 (2020-02-09)
The European Food Consumption Validation (EFCOVAL) project includes 600 men and women from Belgium, the Czech Republic, France, the Netherlands, and Norway, who had given serum and 24-hour urine samples, and completed 24-hour dietary recall (24-HDR) interviews. Consumption, according to
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