Ranitidine N-oxide
1113
Reference
Ranitidine N-oxide Structure
Systematic / IUPAC Name: (E)-N-{2-[({5-[(Dimethylnitroryl)methyl]-2-furyl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine
ID: Reference1113
Other Names: N-{2-[({5-[(Dimethyloxidoamino)methyl]-2-furanyl}methyl)thio]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine
Formula: C13H22N4O4S
Class: Therapeutics/Prescription Drugs
Spectral Data
Ranitidine N-oxide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | LTQ Orbitrap XL |
| No. of Spectral Trees | 1 |
| No. of Spectra | 53 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 10/14/2016 12:52:59 PM |
Identificators
| InChI | InChI=1S/C13H22N4O4S/c1-14-13(8-16(18)19)15-6-7-22-10-12-5-4-11(21-12)9-17(2,3)20/h4-5,8,14-15H,6-7,9-10H2,1-3H3/b13-8+ |
| InChI Key | DFJVUWAHTQPQCV-MDWZMJQESA-N |
| Canonical SMILES | [O-][N+](=O)\C=C(/NC)NCCSCc1oc(cc1)C[N+]([O-])(C)C |
| CAS | 73857202 |
| Splash | |
| Other Names | N-{2-[({5-[(Dimethyloxidoamino)methyl]-2-furanyl}methyl)thio]ethyl}-N'-methyl-2-nitro-1,1-ethenediamine |