ALPHA-ERGOCRYPTINE Property

Melting point:

152-154°C

alpha 

D20 -120° (pyridine); -198° (chloroform)

Boiling point:

636.59°C (rough estimate)

Density 

1.1762 (rough estimate)

refractive index 

1.7500 (estimate)

storage temp. 

−20°C

solubility 

45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.3 mg/mL

form 

Solid

pka

9.61±0.60(Predicted)

color 

Pale Yellow to Pale Beige

Stability:

Hygroscopic

InChIKey

YDOTUXAWKBPQJW-YBALXUQENA-N

SMILES

[C@@]12(O)O[C@@](C(C)C)(NC(=O)[C@H]3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C)C(=O)N1[C@@H](CC(C)C)C(=O)N1CCCC21 |&1:0,3,10,30,r|

Safety

Hazard Codes 

Xn

Risk Statements 

62

Safety Statements 

36/37

RIDADR 

UN 1544 6.1/PG 3

WGK Germany 

3

RTECS 

KE1400000

HazardClass 

6.1(b)

PackingGroup 

III

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H332Harmful if inhaled

H361Suspected of damaging fertility or the unborn child

H362May cause harm to breast-fed children

Precautionary statements

P201Obtain special instructions before use.

P202Do not handle until all safety precautions have been read and understood.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P263Avoid contact during pregnancy/while nursing.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P281Use personal protective equipment as required.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P308+P313IF exposed or concerned: Get medical advice/attention.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P322Specific measures (see …on this label).

P330Rinse mouth.

P363Wash contaminated clothing before reuse.

P405Store locked up.

P501Dispose of contents/container to..…

ALPHA-ERGOCRYPTINE Chemical Properties,Usage,Production

Chemical Properties

Pale Yellow Solid

Uses

α-Ergocryptine is an ergopeptine and one of the ergot alkaloids. An impurity of 2-Bromo α-Ergocryptine Mesylate (B682600).

Uses

An impurity of 2-Bromo α-Ergocriptine Mesylate (B682600).

Definition

ChEBI: Ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when b ta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine.

Purification Methods

It crystallises with solvent of crystallisation, from acetone, *benzene or methanol. [Stadler et al. Helv Chim Acta 52 1549 1969, Beilstein 25 III/IV 964, 27 II 860.]