Identitet

Vildagliptin

Ikke angivet · C17H25N3O2

01Identitet

Lazychem IDLC-83588
CAS RNIkke angivet
PubChem CID6918537
Molecular formulaC17H25N3O2
Molecular weight303.4 g/mol
IUPAC name(2S)-1-[2-[(3-hydroxy-1-adamantyl)amino]acetyl]pyrrolidine-2-carbonitrile
InChIKeySYOKIDBDQMKNDQ-XWTIBIIYSA-N

02Struktur og stereokemi

2D structurePubChem CID 6918537
Two-dimensional chemical structure of Vildagliptin
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 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count5
Secondary amines1
Tertiary amines0
SMILESC1C[C@H](N(C1)C(=O)CNC23CC4CC(C2)CC(C4)(C3)O)C#N
InChIIkke angivet

03Stereochemistry

The published structure contains 1 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

3 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.

04Status i Indien

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

05Navne og relationer

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