Identiteet

Ranitidine S-oxide

Pole loetletud · C13H22N4O4S

01Identiteet

Lazychem IDLC-53427
CAS RNPole loetletud
PubChem CID62986
Molecular formulaC13H22N4O4S
Molecular weight330.41 g/mol
IUPAC name1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfinyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
InChIKeySKHXRNHSZTXSLP-UHFFFAOYSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 62986
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 stereocentres0
Ring count1
Secondary amines2
Tertiary amines1
SMILESCNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(O1)CN(C)C
InChIPole loetletud

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.

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.

04Staatus Indias

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

05Nimed ja seosed

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      06Allikad