Identita

Vildagliptin Impurity Q

Neuvedeno · C17H23N3O2

01Identita

Lazychem IDLC-33453
CAS RNNeuvedeno
PubChem CID163197570
Molecular formulaC17H23N3O2
Molecular weight301.4 g/mol
IUPAC name(2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]imino]acetyl]pyrrolidine-2-carbonitrile
InChIKeyMIBAUSIFADYGKR-HHUWHTLVSA-N

02Struktura a stereochemie

2D structurePubChem CID 163197570
Two-dimensional chemical structure of Vildagliptin Impurity Q
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count5
Secondary amines0
Tertiary amines0
SMILESC1C[C@H](N(C1)C(=O)C=NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N
InChINeuvedeno

03Stereochemistry

The published structure contains 3 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

2 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.

04Stav v Indii

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

05Názvy a vztahy

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      06Zdroje