1.0 2016-05-22 05:03:28 UTC 2026-08-19 02:35:31 UTC Ranitidine SmallMolecule Ranitidine is an organic compound with the formula C13H22N4O3S and an average molecular weight of 314.40 g/mol. Ranitidine belongs to the amines, a subclass of organonitrogen compounds within the organic compounds. It is recorded as a treatment for gastroesophageal reflux disease (PMC1492602). The compound acts on two recorded protein targets as an antagonist/inhibitor of the Histamine H2 receptor (HRH2) and Acetylcholinesterase (ACHE). Exposure routes include oral, intravenous, intramuscular, and topical administration. Ranitidine has been found in or released from 27 recorded sources. These include healthcare, pharmaceuticals & veterinary products, specifically drugs for acid related disorders, as well as drinking water and water supply. Other sources include building & construction materials such as floors, ceilings, roofs, stairs and ramps, and sunshades awnings or outside screens. It is also associated with food, food processing & cookware, including the preparation of wort, wine or sparkling wine, and the preparation of malt. Additionally, it is found in household cleaning & consumer products, such as tobacco product cases, other smoking requisites, and non electric simulated smoking devices. Finally, it is linked to electrical & electronic equipment, including amplifiers, antennas, communication cables or conductors, colour television systems, auxiliary devices, and nine other sources. dimethyl[(5-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine C13H22N4O3S 314.4 314.141261758 dimethyl[(5-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine dimethyl[(5-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine 66357-35-5 CNC(NCCSCC1=CC=C(CN(C)C)O1)=CN(=O)=O 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 VMXUWOKSQNHOCA-UHFFFAOYSA-N Organic compounds Organic nitrogen compounds Organonitrogen compounds Amines Aralkylamines C-nitro compounds Dialkylamines Dialkylthioethers Furans Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organic oxoazanium compounds Organooxygen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Trialkylamines Allyl-type 1,3-dipolar organic compound Aralkylamine Aromatic heteromonocyclic compound C-nitro compound Dialkylthioether Furan Heteroaromatic compound Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitro compound Organic oxide Organic oxoazanium Organic oxygen compound Organoheterocyclic compound Organooxygen compound Organopnictogen compound Organosulfur compound Oxacycle Propargyl-type 1,3-dipolar organic compound Secondary aliphatic amine Secondary amine Sulfenyl compound Tertiary aliphatic amine Tertiary amine Thioether Aromatic heteromonocyclic compounds Detected and Not Quantified Ranitidine Action Pathway SMP0000230 Ranitidine H2 Anti-Histamine Action Pathway SMP0122729 Ranitidine Drug Metabolism Action Pathway SMP0143299 logp 0.99 logp 0.79 ALOGPS logs -3.60 ALOGPS solubility 7.95e-02 g/l ALOGPS logp 0.99 ChemAxon pka_strongest_basic 7.8 ChemAxon iupac dimethyl[(5-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine ChemAxon average_mass 314.4 ChemAxon mono_mass 314.141261758 ChemAxon smiles CNC(NCCSCC1=CC=C(CN(C)C)O1)=CN(=O)=O ChemAxon formula C13H22N4O3S ChemAxon 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 ChemAxon inchikey VMXUWOKSQNHOCA-UHFFFAOYSA-N ChemAxon polar_surface_area 83.58 ChemAxon refractivity 94.15 ChemAxon polarizability 33.77 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 5 ChemAxon donor_count 2 ChemAxon physiological_charge 1 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f7221901e20> DB00863 3001055 2272523 BE0000112 BE0000426