(S)-Alogliptin

01Identitet

Lazychem ID	LC-05551
CAS RN	1108732-05-3
PubChem CID	76973984
Molecular formula	C18H21N5O2
Molecular weight	339.39 g/mol
IUPAC name	(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
InChIKey	ZSBOMTDTBDDKMP-HNNXBMFYSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of (S)-Alogliptin, CAS 1108732-05-3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	3
Secondary amines	0
Tertiary amines	1

SMILES	CN1C(=O)C=C(N(C1=O)CC2=CC=CC=C2C#N)N3CCC[C@@H](C3)N
InChI	Ikke angivet

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2Before 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.

CAS 1108732-05-3

ZSBOMTDTBDDKMP-HNNXBMFYSA-N

Current configuration

Two-dimensional chemical structure of Trelagliptin Desfluoro Impurity / (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile, CAS 850649-61-5

Trelagliptin Desfluoro Impurity / (R)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile

CAS 850649-61-5

ZSBOMTDTBDDKMP-OAHLLOKOSA-N

1 defined, 0 unassigned centres

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

API og moderlægemiddel

Alogliptin

Urenheder og beslægtede forbindelser

Navne og relationer

Alogliptin Impurity 3 / (S)-Alogliptin
Alogliptin Impurity 3
(S)-Alogliptin
(S)-2-((6-(3-aminopiperidin-1-yl)-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)benzonitrile
1108732-05-3
Alogliptin Impurity A
Alogliptin Impurity 89
SCHEMBL17036596
G15697

06Kilder

S01
PubChem CID 76973984
Structure and machine-readable chemical identifiers.