Tożsamość

Tebanicline

Nie podano · C9H11ClN2O

01Tożsamość

Lazychem IDLC-89753
CAS RNNie podano
PubChem CID3075702
Molecular formulaC9H11ClN2O
Molecular weight198.65 g/mol
IUPAC name5-[[(2R)-azetidin-2-yl]methoxy]-2-chloropyridine
InChIKeyMKTAGSRKQIGEBH-SSDOTTSWSA-N

02Struktura i stereochemia

2D structurePubChem CID 3075702
Two-dimensional chemical structure of Tebanicline
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines1
Tertiary amines0
SMILESC1CN[C@H]1COC2=CN=C(C=C2)Cl
InChINie podano

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

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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 w Indiach

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

05Nazwy i powiązania

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      06Źródła