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Chemical structure of Cabergoline-d5

GC71212

Cabergoline-d5

Also known as (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

Cabergoline-d5 is the deuterium labeled Cabergoline

ChemicalCAS1426173-20-7MW456.64FormulaC26H32D5N5O2
CAS number
1426173-20-7
Molecular weight
456.64
Formula
C26H32D5N5O2
InChIKey
KORNTPPJEAJQIU-WDORCQELSA-N
Catalogue number
GC71212
Brand
GLPBIO
Computed properties PubChem CID 46780146 · XLogP 3.4 · TPSA 71.7 Ų · H-bond donors 2
XLogP
3.4
TPSA
71.7 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
33

SMILES [2H]C(=C([2H])C([2H])([2H])N1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N(CCCN(C)C)C(=O)NCC)[2H]

Computed descriptors from PubChem (CID 46780146), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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