Cabergoline Isomer

cas: 81409-91-8 — see every product listed under this CAS number, including other names

Cabergoline Isomer (CAS 81409-91-8) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-C012706
cas81409-91-8
sizeon request
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Structural formula: {0} (CAS {1})

(6aR,9R,10aR)-N-[3-(dimethylamino)propylcarbamoyl]-N-ethyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 81409-91-8) is a chemical compound with the molecular formula C26H37N5O2 and a molecular weight of 451.6 g/mol. IUPAC name: (6aR,9R,10aR)-N-[3-(dimethylamino)propylcarbamoyl]-N-ethyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. InChIKey: BKVTYNFRSRKYSI-KJXAQDMKSA-N.

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

Computed by PubChem (NCBI)

Synonyms: Cabergoline isomer
Isomers (same molecular formula)
(6aR,9S,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 C26H37N5O2
(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 C26H37N5O2
(6aR,9R,10aR)-9-N-[3-(dimethylamino)propyl]-4-N-ethyl-7-prop-2-enyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline-4,9-dicarboxamide C26H37N5O2
(6aR,9R)-N-[3-(dimethylamino)propyl]-N-(ethylcarbamoyl)-7-(1,1,2,3,3-pentadeuterioprop-2-enyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C26H37N5O2

Also listed as

(8beta)-N-(((3-(Dimethylamino)propyl)amino)carbonyl)-N-ethyl-6-(2-propen-1-yl)-ergoline-8-carboxamide TRC CAS 81409-91-8
Cabergoline Isomer-d6 Chemat Brand CAS 81409-91-8 (non-labelled)