Identidad

5-Hydroxyesomeprazole

No indicado · C16H17N3O3S

01Identidad

Lazychem ID	LC-41560
CAS RN	No indicado
PubChem CID	29918914
Molecular formula	C16H17N3O3S
Molecular weight	331.4 g/mol
IUPAC name	2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-benzimidazol-5-ol
InChIKey	TWXDTVZNDQKCOS-QHCPKHFHSA-N

02Estructura y estereoquímica

Two-dimensional chemical structure of 5-Hydroxyesomeprazole — 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	0

SMILES	CC1=CN=C(C(=C1OC)C)C[S@](=O)C2=NC3=C(N2)C=C(C=C3)O
InChI	No indicado

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.