Identitate

Rocuronium impurity 68

Nu este indicat · C23H37NO2

01Identitate

Lazychem IDLC-39858
CAS RNNu este indicat
PubChem CID57796120
Molecular formulaC23H37NO2
Molecular weight359.5 g/mol
IUPAC name(2S,4R,6S,14R,15R,16S)-2,16-dimethyl-14-pyrrolidin-1-yl-5-oxapentacyclo[9.7.0.02,8.04,6.012,16]octadecan-15-ol
InChIKeyOPYVYACKKDTREB-AITFOUQESA-N

02Structură și stereochimie

2D structurePubChem CID 57796120
Two-dimensional chemical structure of Rocuronium impurity 68
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 6 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres6
Ring count6
Secondary amines0
Tertiary amines1
SMILESC[C@]12CCC3C(C1C[C@H]([C@@H]2O)N4CCCC4)CCC5[C@@]3(C[C@@H]6[C@H](C5)O6)C
InChINu este indicat

03Stereochemistry

The published structure contains 6 defined and 4 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres6Structure assigned
Unassigned centres4Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

4 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.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Statut în India

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Denumiri și relații

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