Identité

Rocuronium Bromide EP Impurity B

Non indiqué · C34H55BrN2O5

01Identité

Lazychem ID	LC-38973
CAS RN	Non indiqué
PubChem CID	67897954
Molecular formula	C34H55BrN2O5
Molecular weight	651.7 g/mol
IUPAC name	[(2S,3S,5S,8R,9S,10S,13S,14S,16S,17R)-17-acetyloxy-10,13-dimethyl-2-morpholin-4-yl-16-(1-prop-2-enylpyrrolidin-1-ium-1-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate bromide
InChIKey	IYNFYELGQJULSR-PWXDFCLTSA-M

02Structure et stéréochimie

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

The parsed structure contains 6 rings, includes aliphatic carbon, has 10 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres	10
Ring count	6
Secondary amines	0
Tertiary amines	1

SMILES	CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@@H]([C@]2(C[C@@H]1N4CCOCC4)C)CC[C@]5([C@H]3C[C@@H]([C@@H]5OC(=O)C)[N+]6(CCCC6)CC=C)C.[Br-]
InChI	Non indiqué

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 1,024Before 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.