E131
Ergocornine
>95%, solid
Synonym(s):
12′-Hydroxy-2′,5′-α-bis(1-methyl-ethyl)ergotaman-3′,6′,18-trione
About This Item
Recommended Products
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
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Biochem/physiol Actions
Storage Class
6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Certificates of Analysis (COA)
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