| Identification | Back Directory | [Name]
ergotamine | [CAS]
113-15-5 | [Synonyms]
ergotamin
NSC 95090
ergotamine
Ergotamine (8CI)
12'-Hydroxy-2'-methyl-5'α-benzylergotaman-3',6',18-trione
12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione
18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-6(5’alpha)-ergotaman-3
6’,18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3(5’-alph
(5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione
Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α)- | [EINECS(EC#)]
204-023-9 | [Molecular Formula]
C33H35N5O5 | [MOL File]
113-15-5.mol | [Molecular Weight]
581.662 |
| Chemical Properties | Back Directory | [Melting point ]
241-249℃ | [alpha ]
D20 -160° (chloroform) | [Boiling point ]
651.33°C (rough estimate) | [density ]
1.0998 (rough estimate) | [refractive index ]
1.7500 (estimate) | [pka]
pKa 6.40±0.09(H2O
t=24.0) (Uncertain) | [CAS DataBase Reference]
113-15-5 |
| Hazard Information | Back Directory | [Uses]
Analgesic (specific in migraine). | [Definition]
ChEBI: A peptide ergot alkaloid that is dihydroergotamine in which a double bond replaces the single bond between positions 9 and 10. | [Brand name]
Ergomar (Harvest);Ergostat (Parke-Davis); Wigrettes (Organon). | [Purification Methods]
Crystallise it from *benzene, then dry it by prolonged heating in high vacuum. It is very hygroscopic. [Beilstein 25 III/IV 964.] |
| Safety Data | Back Directory | [RIDADR ]
1544 | [HazardClass ]
6.1(b) | [PackingGroup ]
III | [Toxicity]
LD50 in mice, rats, rabbits (mg/kg): 62, 80, 3 i.v.; in cats: 11 s.c. (Rothlin) |
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