Ranitidine | SBID = 325 | Compound |
Structure
Molecular Properties
| Interactions: | 4 | ||
| PubChem TPSA/Å2: | 112.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.3 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 2.0 | ||
| Number of H-Bond Acceptors: | 7.0 | ||
| Number of Stereogenic Bonds (E/Z): | 1.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 243.5 | ||
| Sum Formula: | C13H22N4O3S | ||
| M / g/mol: | 314.404 | ||
| Complexity: | 347.0 | ||
| Number of Conformers: | 10.0 |
Identifiers
- Tags: drug, typical guest
- Name: Ranitidine
- Preferred Abbreviation: Ranitidine
- IUPAC Name: (E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
- CAS: 66357-35-5
- CID: 3001055
- InChiKey: VMXUWOKSQNHOCA-UKTHLTGXSA-N
- 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+
- CanoSmiles: CNC(=C[N+](=O)[O-])NCCSCC1=CC=C(O1)CN(C)C
- IsoSmiles: CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C
