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81409-74-7

81409-74-7 Structure

81409-74-7 Structure
IdentificationBack Directory
[Name]

6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID
[CAS]

81409-74-7
[Synonyms]

Cabergoline impurity A -d
6-Allyl-8β-carboxyergoline
YAICYXFUKKMAKO-XNRPHZJLSA-N
6-(2-Propenyl)dihydrolysergic acid
(8b)-6-Allylergoline-8-carboxylic acid
6-(2-PROPENYL)-ERGOLINE-8-CARBOXYLIC ACID
[Molecular Formula]

C18H20N2O2
[MDL Number]

MFCD07368167
[MOL File]

81409-74-7.mol
[Molecular Weight]

296.36
Chemical PropertiesBack Directory
[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)
[form ]

Solid
[pka]

3.77±0.20(Predicted)
[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|
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H302-H362
[Precautionary statements ]

P264-P280-P302+P352-P321-P332+P313-P362-P201-P260-P263-P264-P270-P308+P313-P264-P270-P301+P312-P330-P501
Hazard InformationBack Directory
[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.
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