ChemicalBook--->CAS DataBase List--->639-81-6

639-81-6

639-81-6 Structure

639-81-6 Structure
IdentificationBack Directory
[Name]

ERGOTAMININE (100 MG) (LIST CHEMICAL)
[CAS]

639-81-6
[Synonyms]

XCGSFFUVFURLIX-BRMNWJGKSA-N
ERGOTAMININE (100 MG) (LIST CHEMICAL)
Ergotaminine (List Chemical) (1241550)
(8α)-12'-Hydroxy-2'-methyl-5'α-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α,8α)-
[Molecular Formula]

C33H35N5O5
[MOL File]

639-81-6.mol
[Molecular Weight]

581.66
Chemical PropertiesBack Directory
[Melting point ]

252°C (rough estimate)
[alpha ]

D20 +369° (c = 0.5 in chloroform)
[Boiling point ]

639.99°C (rough estimate)
[density ]

1.2118 (rough estimate)
[refractive index ]

1.7500 (estimate)
Safety DataBack Directory
[Symbol(GHS) ]


GHS08,GHS06
[Signal word ]

Danger
[Hazard statements ]

H301-H331-H311-H361
[Precautionary statements ]

P264-P270-P301+P310-P321-P330-P405-P501-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P201-P202-P281-P308+P313-P405-P501-P280-P302+P352-P312-P322-P361-P363-P405-P501
[RIDADR ]

1544
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

2939690000
Hazard InformationBack Directory
[Uses]

Ergotaminine is the Epimer of Ergotamine (E599550), a antimigraine agent.
[Purification Methods]

It is less soluble than ergotamine, and its solubility is 0.1% in boiling ethanol and 0.07% in methanol. [Stoll Helv Chim Acta 28 1299 and 1306 1945, Beilstein 25 II 860, 862, 25 III/IV 966.]
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