6-Allyl-8beta-carboxyergoline

6-Allyl-8beta-carboxyergoline Property

Melting point:

>160oC(dec.)

Boiling point:

530.4±50.0 °C(Predicted)

Density 

1.258

storage temp. 

Amber Vial, -20°C Freezer

solubility 

Dioxane (Sparingly), DMSO, Methanol (Sparingly)

pka

3.77±0.20(Predicted)

form 

Solid

color 

White to Light Beige to Pale Brown

InChI

InChI=1/C18H20N2O2/c1-2-6-20-10-12(18(21)22)7-14-13-4-3-5-15-17(13)11(9-19-15)8-16(14)20/h2-5,9,12,14,16,19H,1,6-8,10H2,(H,21,22)/t12?,14-,16-/s3

InChIKey

YAICYXFUKKMAKO-SSILCPKXNA-N

SMILES

[C@]12([H])CC(C(O)=O)CN(CC=C)[C@]1([H])CC1=CNC3=CC=CC2=C13 |&1:0,12,r|

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H362May cause harm to breast-fed children

Precautionary statements

P201Obtain special instructions before use.

P260Do not breathe 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.

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

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.

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

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P362Take off contaminated clothing and wash before reuse.

P501Dispose of contents/container to..…

6-Allyl-8beta-carboxyergoline Chemical Properties,Usage,Production

Description

6-Allyl-8beta-carboxyergoline is a pharmaceutical intermediate compound used in the preparation of Cabergoline, a drug for the treatment of high levels of prolactin in the blood.

Uses

6-Allyl-8β-carboxyergoline is a metabolite of cabergoline (C050000) which is a dopamine D2-receptor agonist.