Identitāte

3-Acetyl rocuronium

Nav norādīts · C34H55N2O5+

01Identitāte

Lazychem ID	LC-38972
CAS RN	Nav norādīts
PubChem CID	67897955
Molecular formula	C34H55N2O5+
Molecular weight	571.8 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
InChIKey	YTOBUTQXJPRYPH-XQIGCQGXSA-N

02Struktūra un stereoķīmija

Two-dimensional chemical structure of 3-Acetyl rocuronium — 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	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
InChI	Nav norādīts

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.