Azonosítás

Rocuronium Bromide Impurity 29

Nincs megadva · C27H46N2O3

01Azonosítás

Lazychem ID	LC-34252
CAS RN	Nincs megadva
PubChem CID	141235724
Molecular formula	C27H46N2O3
Molecular weight	446.7 g/mol
IUPAC name	(2R,3R,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethyl-3-morpholin-4-yl-16-pyrrolidin-1-yl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-2,17-diol
InChIKey	ZWYXOCXPQMAZJM-KJGDDJSISA-N

02Szerkezet és sztereokémia

Two-dimensional chemical structure of Rocuronium Bromide Impurity 29 — 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. These statements are calculated from the published structure string.

Defined stereocentres	10
Ring count	6
Secondary amines	0
Tertiary amines	2

SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@@H]([C@@H]2O)N4CCCC4)CC[C@@H]5[C@@]3(C[C@H]([C@@H](C5)N6CCOCC6)O)C
InChI	Nincs megadva

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.