Tunnistetiedot

Ranitidine S-oxide

Ei ilmoitettu · C13H22N4O4S

01Tunnistetiedot

Lazychem ID	LC-53427
CAS RN	Ei ilmoitettu
PubChem CID	62986
Molecular formula	C13H22N4O4S
Molecular weight	330.41 g/mol
IUPAC name	1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
InChIKey	SKHXRNHSZTXSLP-UHFFFAOYSA-N

02Rakenne ja stereokemia

Two-dimensional chemical structure of Ranitidine S-oxide — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 1 ring, includes aromatic atoms, includes aliphatic carbon, contains a nitro substructure. These statements are calculated from the published structure string.

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

SMILES	CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C
InChI	Ei ilmoitettu

03Stereochemistry

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

Defined centres0Structure assigned

Unassigned centres1Structure unspecified

Assignment statusUnassignedExact 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.