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ergotamine

CAS No.
113-15-5
Chemical Name:
ergotamine
Synonyms
ergotamin;NSC 95090;ergotamine;Ergotamine (8CI);ergotamine USP/EP/BP;XCGSFFUVFURLIX-VFGNJEKYSA-N;12'-Hydroxy-2'-methyl-5'α-benzylergotaman-3',6',18-trione;12’-hydroxy-2’-methyl-5’alpha-(phenylmethyl)ergotaman-3’,6’,18-trione;6’,18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-ergotaman-3(5’-alph;18-trione,12’-hydroxy-2’-methyl-5’-(phenylmethyl)-6(5’alpha)-ergotaman-3
CBNumber:
CB2865180
Molecular Formula:
C33H35N5O5
Molecular Weight:
581.66
MOL File:
113-15-5.mol

ergotamine Properties

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
EWG's Food Scores 1
FDA UNII PR834Q503T
ATC code N02CA02

SAFETY

Risk and Safety Statements

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)

ergotamine Chemical Properties,Uses,Production

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.]

ergotamine Preparation Products And Raw materials

Raw materials

Preparation Products

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 ergotamine Ergotaman-3',6',18-trione, 12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'α)- Ergotamine (8CI) NSC 95090 12'-Hydroxy-2'-methyl-5'α-benzylergotaman-3',6',18-trione (5'alpha)-12'-Hydroxy-2'-methyl-5'-(phenylmethyl)ergotaman-3',6',18-trione XCGSFFUVFURLIX-VFGNJEKYSA-N Ergotaman-3',6',18-trione,12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'a)- ergotamine USP/EP/BP ergotamin 113-15-5 Organics