Identidad

Bromocriptine Impurity B

No indicado · C32H41N5O5

01Identidad

Lazychem ID	LC-48483
CAS RN	No indicado
PubChem CID	6852403
Molecular formula	C32H41N5O5
Molecular weight	575.7 g/mol
IUPAC name	(9R)-N-[(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
InChIKey	YDOTUXAWKBPQJW-ISVRSENOSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of Bromocriptine Impurity B — 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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	4
Ring count	7
Secondary amines	0
Tertiary amines	1

SMILES	CC(C)C[C@H]1C(=O)N2CCCC2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
InChI	No indicado

03Stereochemistry

The published structure contains 4 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned

Unassigned centres2Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 64Before symmetry reduction

Published same-connectivity configurations

3 records

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.