Products 81409-90-7

CAS 81409-90-7 appears in our catalog under these names: Cabergoline, Cabergoline, >95% (HPLC), Cabergoline 1000 µg/mL in Acetonitrile, Cabergoline/ 99.92% (existing batch purity), (8β)-N-(3-(Dimethylamino)propyl)-N-((ethylamino)carbonyl) -6-(2-propen-1-yl)-ergoline-8-carboxamide. Offered by: Chemat Brand, TRC, Dr. Ehrenstorfer, TargetMol, GLPBio. Available pack sizes: on request, 10mg, 50mg, 5mg, 1ml, 1mg, 25mg, 100mg.

Structural formula: {0} (CAS {1})

Cabergoline is an N-acylurea that is (8R)-ergoline-8-carboxamide in which the hydrogen attached to the piperidine nitrogen (position 6) is substituted by an allyl group and the hydrogens attached to the carboxamide nitrogen are substituted by a 3-(dimethylamino)propyl group and an N-ethylcarbamoyl group. A dopamine D2 receptor agonist, cabergoline is used in the management of Parkinson's disease and of disorders associated with hyperprolactinaemia. It has a role as an antineoplastic agent, an antiparkinson drug and a dopamine agonist.

Source: ChEBI

Identity
Molecular formulaC26H37N5O2
Molecular weight451.6 g/mol
IUPAC name(6aR,9R,10aR)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyKORNTPPJEAJQIU-KJXAQDMKSA-N
SMILESCCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C

Computed by PubChem (NCBI)