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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
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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

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

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

InChI key

UJYGDMFEEDNVBF-OGGGUQDZSA-N

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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J C Young
Journal of environmental science and health. Part. B, Pesticides, food contaminants, and agricultural wastes, 16(4), 381-393 (1981-01-01)
The total alkaloid content and individual alkaloid composition were determined by colorimetry and high performance liquid chromatography, respectively, for Canadian wheat ergot sclerotia. The total alkaloid content was highly variable between individual sclerotia from the same or different sources and
H I Siegel et al.
Neuroscience and biobehavioral reviews, 4(1), 17-26 (1980-01-01)
This review covers a description of the maternal behavior cycle in the hamster and relationships between the endocrine system and prepartum changes in activity, aggression, sexual receptivity, and maternal care. Postpartum maternal behavior consists of the mother's "normal" cannibalism of
Ergot drugs suppress plasma prolactin and lactation but not aggression in parturient mice.
M Mann et al.
Hormones and behavior, 14(4), 319-328 (1980-12-01)
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