Ranitidine | SBID = 325 | Compound | Pubchem logo

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: typical guest, drug
  • 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