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Merck
CN

E5625

α-Ergocryptine

Synonym(s):

12′-Hydroxy-2′-(1-methylethyl)-5′-α-(2-methylpropyl)ergotaman-3′,6′,18-trione

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About This Item

Empirical Formula (Hill Notation):
C32H41N5O5
CAS Number:
511-09-1
Molecular Weight:
575.70
UNSPSC Code:
12352200
PubChem Substance ID:
24894618
EC Number:
208-121-2
MDL number:
MFCD26143009

Key Documents

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SMILES string

CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C

solubility

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL, ethanol: 3.2 mg/mL, H2O: insoluble

storage temp.

−20°C

Biochem/physiol Actions

Ergot alkaloid

pictograms

Health hazard
GHS08

signalword

Warning

hcodes

H361

pcodes

P281

Hazard Classifications

Repr. 2

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 P3 (EN 143) respirator cartridges

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
055H0725
108C0264

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M S Choudhary et al.
Molecular pharmacology, 47(3), 450-457 (1995-03-01)
In this paper we show that a highly conserved aromatic residue, phenylalanine at the 340-position, is essential for ergoline binding to 5-hydroxytryptamine2A receptors. We hypothesized that F340 was essential for a specific aromatic-aromatic interaction (e.g., pi-pi or hydrophobic) between the
Thomas Haarmann et al.
Fungal genetics and biology : FG & B, 45(1), 35-44 (2007-06-15)
The ergot fungus Claviceps purpurea uses mainly the nonhomologous-end-joining (NHEJ) system for integration of exogenous DNA, leading to a low frequency of homologous integration (1-2%). To improve gene targeting efficiency we deleted the C. purpurea ku70 gene in two different
C Szántay et al.
Acta pharmaceutica Hungarica, 64(3), 105-108 (1994-05-01)
Two novel natural derivatives (2 and 3) of the ergot alkaloid alpha-ergokryptine (1), as well as their synthetically brominated analogues (5 and 6) were isolated and identified by NMR and MS methods. Compounds 2 and 5 contain what appears to
I Mahmood
International journal of clinical pharmacology and therapeutics, 36(10), 540-544 (1998-11-03)
The objective of this study was to demonstrate the impact of the sum of parent compound and metabolite in bioequivalence assessment. Four drugs with active metabolite were selected to assess bioequivalence. Bioequivalence criteria of 80 - 125% were applied to
M A Peyronneau et al.
European journal of biochemistry, 223(3), 947-956 (1994-08-01)
The interaction between rat and human liver cytochromes P450 with a series of lysergic acid derivatives and ergopeptide alkaloids was studied by difference visible spectroscopy. Ergopeptides, like bromocriptine, ergocryptine and dihydroergotamine, strongly interacted with rat liver microsomes with the appearance
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