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ranitidine-S-oxide
MNXM160795 is deprecated and here replaced by MNXM1368482
!!! Alternative mappings exist !!!
| Properties | Image |
|---|
| MNX_ID | MNXM1368482 |
 |
| reference | chebi:83497 |
| formula | C13H22N4O4S |
| global charge | 0 |
| mol weight | 330.41 |
| InChIKey | SKHXRNHSZTXSLP-UHFFFAOYSA-N |
| InChI | InChI=1S/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3 |
| SMILES | CNC(=C[N+](=O)[O-])NCCS(=O)CC1=CC=C(CN(C)C)O1 |
MNX internals
| InChI (mnx) | InChI=1/C13H22N4O4S/c1-14-13(9-17(18)19)15-6-7-22(20)10-12-5-4-11(21-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9?/t22? |
 |
| SMILES (mnx) | [CH3:1][NH:14][C:13](=[CH:9][N+:17]([O-:18])=[O:19])[NH:15][CH2:6][CH2:7][S:22]([CH2:10][C:12]1=[CH:5][CH:4]=[C:11]([CH2:8][N:16]([CH3:2])[CH3:3])[O:21]1)=[O:20] |
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| Parent-child relations graph |
| Occurences in reactions | #reac |
|---|
| in my sandbox |
0 |
| in MNXref (generic) | 0 |
| in models (compartimentalized) |
0 |
|
Similar chemical compounds in external resources
| Identifier | Description |
|---|
CHEBI:83497
chebi:83497
SKHXRNHSZTXSLP-UHFFFAOYSA-N
| ranitidine-S-oxide
N-{2-[({5-[(dimethylamino)methyl]furan-2-yl}methyl)sulfinyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
|
hmdb:HMDB0257111
SKHXRNHSZTXSLP-UHFFFAOYSA-N
| Ranitidine S-oxide
Ranitidine-S-oxide
Ranitidine-S-oxide hydrochloride
dimethyl({5-[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethanesulfinyl)methyl]furan-2-yl}methyl)amine
|