Chemical Properties of Ranitidine (CAS 66357-35-5)

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+

InChI Key

VMXUWOKSQNHOCA-UKTHLTGXSA-N

Formula

C13H22N4O3S

SMILES

CNC(=C[N+](=O)[O-])NCCSCc1ccc(CN(C)C)o1

Molecular Weight¹

314.40

CAS

66357-35-5

Other Names

• 1,1-Ethenediamine, N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-N'-methyl-2-nitro-
• N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N'-methyl-2-nitroethene-1,1-diamine
• N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethenediamine
• N-[2-[[5-[(Dimethylamino)methyl]furfuryl]thio]ethyl]-N'-methyl-2-nitro-1,1-ethylenediamine

• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Similar Compounds

Find more compounds similar to Ranitidine.

Sources

• Crippen Method
• Liquid pharmaceuticals formulation by eutectic formation
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.