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Bromocriptine-[13C,d3]

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General Information
Catalog: BLP-002101
Molecular Formula: C31[13C]H37D3BrN5O5
Molecular Weight: 658.62

Chemical Structure

Description	Bromocriptine-[13C,d3], is the labelled analogue of Bromocriptine. Bromocriptine, an ergoline derivative, is a dopamine agonist. It is used in the treatment of pituitary tumors, Parkinson's disease (PD), hyperprolactinaemia, neuroleptic malignant syndrome, and type 2 diabetes.
Synonyms	Bromocriptine-13CD3
IUPAC Name	(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-hydroxy-7-(2-methylpropyl)-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-(trideuterio(1-13C)methyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Related CAS	25614-03-3 (unlabelled)
Canonical SMILES	CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O
InChI	InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1/i5+1D3
InChI Key	OZVBMTJYIDMWIL-ZCKMBJTMSA-N