ranitidine
(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
Molecular Identity
ranitidine
(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine
PubChem CID: 3001055
Ranitidine is a member of the class of furans used to treat peptic ulcer disease (PUD) and gastroesophageal reflux disease. It has a role as a xenobiotic, a H2-receptor antagonist, an anti-ulcer drug, an environmental contaminant and a drug allergen. It is an organic sulfide, a member of furans, a C-nitro compound and a tertiary amino compound.
2D Structure
Properties
C13H22N4O3S
Molecular Formula
314.41
Molecular Weight
g/mol
314.1413
Exact Mass
Da
0.3
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
7
H-Bond Acceptors
347
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
ranitidine66357-35-5RanitidinaRanitidinumGavilastRanitidinCHEBI:87761,1-Ethenediamine, N-(2-(((5-((dimethylamino)methyl)-2-furanyl)methyl)thio)ethyl)-N'-methyl-2-nitro-n-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-n'-methyl-2-nitro-1,1-ethenediamineDTXSID8045191DTXCID008200681,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamineNSC-757851dimethyl[(5-{[(2-{[(E)-1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}furan-2-yl)methyl]amine
Data from PubChem (NCBI)
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