Azonosítás

Bromocriptine EP Impurity G

Nincs megadva · C33H42BrN5O5

01Azonosítás

Lazychem ID	LC-35382
CAS RN	Nincs megadva
PubChem CID	129821359
Molecular formula	C33H42BrN5O5
Molecular weight	668.6 g/mol
IUPAC name	(6aR,9R)-5-bromo-N-[(1S,2S,4R,7S)-2-methoxy-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
InChIKey	HRZKVJHMWBNFIM-JBLKEQKZSA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Bromocriptine EP Impurity G — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 7 rings, includes aromatic atoms, includes aliphatic carbon, has 6 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	6
Ring count	7
Secondary amines	0
Tertiary amines	1

SMILES	CC(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=C(NC7=CC=CC(=C67)C5=C4)Br)C)OC
InChI	Nincs megadva

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.