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561-94-4

561-94-4 Structure

561-94-4 Structure
IdentificationBack Directory
[Name]

ergosine
[CAS]

561-94-4
[Synonyms]

ergosine
NSC 122047
alpha-Ergosine
NESVMZOPWPCFAU-ZPRCMDFASA-N
ErgotaMan-3',6',18-trione,12'-hydroxy-2'-Methyl-5'-(2-Methylpropyl)-, (5'a)-
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(2-methylpropyl)ergotaman-3',6',18-trione
[EINECS(EC#)]

209-226-6
[Molecular Formula]

C30H37N5O5
[MDL Number]

MFCD01729206
[MOL File]

561-94-4.mol
[Molecular Weight]

547.645
Chemical PropertiesBack Directory
[Melting point ]

224-225℃
[alpha ]

D20 -161° (chloroform)
[Boiling point ]

620.23°C (rough estimate)
[density ]

1.2040 (rough estimate)
[refractive index ]

1.603
[pka]

9+-.0.60(Predicted)
Hazard InformationBack Directory
[Definition]

ChEBI: An ergot alkaloid isolated from the fungus Epichloe typhina.
[Uses]

Ergosine is an ergot alkaloid which are used in the treatment of vasoconstriction and as well as Parkinson’s disease. Also certain derivatives act as psychedelics mimicking lysergic acid.
Safety DataBack Directory
[Symbol(GHS) ]

Skull and Crossbones (GHS06)
GHS06
[Signal word ]

Danger
[Hazard statements ]

H301
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501
[RIDADR ]

1544
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2934999090
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