Bromocriptine EP Impurity B

cas: 511-09-1 — see every product listed under this CAS number, including other names

Bromocriptine EP Impurity B (CAS 511-09-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberULB335
cas511-09-1
sizeon request
availability Do potwierdzenia przez Chemat|To be confirmed by Chemat
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purityNo data
categoryChemicals
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Structural formula: {0} (CAS {1})

Alpha-ergocryptine is ergotaman bearing hydroxy, isopropyl, and 2-methylpropyl groups at the 12', 2' and 5' positions, respectively, and oxo groups at positions 3', 6', and 18. It is a natural ergot alkaloid. Ergocryptine discussed in the literature prior to 1967, when beta-ergocryptine was separated from alpha-ergocryptine, is now referred to as alpha-ergocryptine. It derives from a hydride of an ergotaman.

Source: ChEBI

Identity
Molecular formulaC32H41N5O5
Molecular weight575.7 g/mol
IUPAC name(6aR,9R)-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-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
InChIKeyYDOTUXAWKBPQJW-NSLWYYNWSA-N
SMILESCC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C)O

Computed by PubChem (NCBI)

Synonyms: alpha-Ergocryptine, Ergocryptine, 12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman, I+--Ergocryptine, ergokryptin, Ergocryptine-alpha, 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione, alpha-Ergokryptine, Bromocriptine Mesilate EP Impurity B, 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione
Related forms of this compound
(6aR,9R)-N-[(1S,2S,4S)-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-(trideuteriomethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C32H41N5O5
Isomers (same molecular formula)
(6aR,9S)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C32H41N5O5
(6aR,9R)-N-[(1S,2S,4R,7S)-7-[(2S)-butan-2-yl]-2-hydroxy-5,8-dioxo-4-propan-2-yl-3-oxa-6,9-diazatricyclo[7.3.0.02,6]dodecan-4-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide C32H41N5O5

Also listed as

Bromocriptine mesilate EP Impurity B Chemat Brand CAS 511-09-1
α-Ergocryptine, >95% (HPLC) TRC CAS 511-09-1
Alpha-Ergocryptine, >95% (HPLC) TRC CAS 511-09-1
Ergocryptine Dr. Ehrenstorfer CAS 511-09-1