ERGOCRISTINE

ERGOCRISTINE Structure
CAS No.
511-08-0
Chemical Name:
ERGOCRISTINE
Synonyms
NSC 93743;ergocrystine;ERGOCRISTINE;Dihydro Ergotamine Impurity 6;12'-Hydroxy-2'-isopropyl-5'α-benzylergotaman-3',6',18-trione;6’,18-trione,12’-hydroxy-2’-(1-methylethyl)-5’-(phenylmethyl)-ergotaman-3;12μ-Hydroxy-2μ-(1-methylethyl)-5μ-(phenylmethyl)ergotaman-3μ,6μ,18μ-trione;(5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)ergotaMan-3',6',18-trione;ErgotaMan-3',6',18-trione,12'-hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)-, (5'a)-;(5'alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione
CBNumber:
CB6679828
Molecular Formula:
C35H39N5O5
Molecular Weight:
609.73
MOL File:
511-08-0.mol
MSDS File:
SDS
Modify Date:
2024/4/8 16:27:35

ERGOCRISTINE Properties

Melting point 155-157 °C(lit.)
alpha D20 -183° (chloroform)
Boiling point 655.69°C (rough estimate)
Density 1.1839 (rough estimate)
refractive index 1.7500 (estimate)
solubility Chloroform (Slightly), Methanol (Slightly)
form powder
pka 9.59±0.60(Predicted)
color Off-white
Stability Hygroscopic

SAFETY

Risk and Safety Statements

Symbol(GHS) 
GHS06
Signal word  Danger
Hazard statements  H301
Precautionary statements  P264-P270-P301+P310
Hazard Codes  T
Risk Statements  23/24/25
Safety Statements  22-36/37/39-45-24/25
RIDADR  1544
RTECS  KE1180000
HazardClass  6.1(b)
PackingGroup  III
HS Code  29396900

ERGOCRISTINE Chemical Properties,Uses,Production

Uses

A derivative of lysergic acid and a natural ergot alkaloid which is a member of the ergotoxine group. Its intraocular pressure lowering effect makes it potential candidate for future applications in ocular pharmacology.

Definition

ChEBI: Ergotaman bearing benzyl, hydroxy, and isopropyl groups at the 5', 12' and 2' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid.

Purification Methods

It crystallises with 2 molecules of solvent of crystallisation from *benzene. [Stadler et al. Helv Chim Acta 52 1549 1969, Beilstein 25 III/IV 966, 27 II 860.]

ERGOCRISTINE Preparation Products And Raw materials

Raw materials

Preparation Products

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6’,18-trione,12’-hydroxy-2’-(1-methylethyl)-5’-(phenylmethyl)-ergotaman-3 ergocrystine 12μ-Hydroxy-2μ-(1-methylethyl)-5μ-(phenylmethyl)ergotaman-3μ,6μ,18μ-trione 12'-Hydroxy-2'-isopropyl-5'α-benzylergotaman-3',6',18-trione ERGOCRISTINE (5'α)-12'-Hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)ergotaMan-3',6',18-trione NSC 93743 (5'alpha)-12'-Hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)ergotaman-3',6',18-trione ErgotaMan-3',6',18-trione,12'-hydroxy-2'-(1-Methylethyl)-5'-(phenylMethyl)-, (5'a)- Dihydro Ergotamine Impurity 6 Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(phenylmethyl)-, (5'α)- (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-(1-methylethyl)-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinoline-9-carboxamide (ergocristine), (6aR,9R,10aR)-N-[(2R,5S,10aS,10bS)-5-benzyl-10b-hydroxy-2-[(1RS)-1-methylpropyl]-3,6-dioxooctahydro-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazin-2-yl]-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo[4,3-fg]quinoline-9-carboxamide(dihydroergosedmine), 511-08-0 C35H39N5O5 Aromatics Chiral Reagents Heterocycles Inhibitors Intermediates & Fine Chemicals Pharmaceuticals