| SpectraBase Spectrum ID |
7uwT3epvyUr |
| Name |
Ranitidine |
| CAS Registry Number |
66357-35-5 |
| Classification |
Pharmaceutical drug, histamine H2-antagonist |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.141261755 u |
| Formula |
C13H22N4O3S |
| InChI |
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ |
| InChIKey |
VMXUWOKSQNHOCA-UKTHLTGXSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
314.404 g/mol |
| Nominal Mass |
314 u |
| Quality |
923 |
| Retention Index |
2534 |
| SMILES |
C(N\C(NC)=C\[N+](=O)[O-])CSCC=1OC(=CC1)CN(C)C |
| SPLASH |
splash10-029j-2940000000-a6641e97a5b88d6883a2 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
(E)-N'-[2-[[5-(Dimethylaminomethyl)-2-furyl]methylsulfanyl]ethyl]-N-methyl-2-nitroethene-\r1,1-diamine |
| Technique |
GC/MS |
| Wiley ID |
DD2024_003848 |
![(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine](/api/spectrum/7uwT3epvyUr/structure.png?h=300&w=458 "(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine")
