Aitheantas

Dexmedetomidine API

CAS 113775-47-6 · C13H16N2

01Aitheantas

Lazychem ID	LC-12610
CAS RN	113775-47-6
PubChem CID	5311068
Molecular formula	C13H16N2
Molecular weight	200.28 g/mol
IUPAC name	5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole
InChIKey	CUHVIMMYOGQXCV-NSHDSACASA-N

02Struchtúr agus steiréicheimic

Two-dimensional chemical structure of Dexmedetomidine API, CAS 113775-47-6 — 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. These statements are calculated from the published structure string.

Defined stereocentres	1
Ring count	2
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C(C(=CC=C1)[C@H](C)C2=CN=CN2)C
InChI	Gan liostú

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

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.