1-Propene-1,1-diamine, 3-[5-[(dimethylamino)methyl]-2-furanyl]-N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-Na(2)-methyl-2-nitro-, (Z)-
Basic information
- CAS
112233-25-7- Standard SMILES
CN/C(NCCSCc1ccc(CN(C)C)o1)=C(\Cc1ccc(CN(C)C)o1)[N+](=O)[O-]- InChIKey
VZXBPGNYACMAPS-MRCUWXFGSA-N- Molecular formula
- C21H33N5O4S
- Average molar mass
- 451.6 g/mol
- Monoisotopic mass
- 451.22532572
Names & identifiers
- Preferred name
- 1-Propene-1,1-diamine, 3-[5-[(dimethylamino)methyl]-2-furanyl]-N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-Na(2)-methyl-2-nitro-, (Z)-
- IUPAC
- (Z)-3-[5-[(dimethylamino)methyl]furan-2-yl]-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroprop-1-ene-1,1-diamine
- English name
- (E)-3-(5-((dimethylamino)methyl)furan-2-yl)-N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroprop-1-ene-1,1-diamine
- Molecular formula
- C21H33N5O4S
- Molecular weight
- 451.58
Names & synonyms
DTXSID7011002641-Propene-1,1-diamine, 3-[5-[(dimethylamino)methyl]-2-furanyl]-N-[2-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]ethyl]-Na(2)-methyl-2-nitro-, (Z)-Ranitidine Impurity 6Ranitidine Impurity 1Ranitidine Impurity 5Ranitidine Impurity 16Ranitidine Impurity 12rannitidine impurity 13Ranitidine EP Impurity 1N,N-Dimethyl-5-(2(1-methylamino-2-(5-dimethylaminomethyl-2-furfuryl)-2-nitrovinylamino)ethyl-thiomethyl)furfurylamine(E)-3-(5-((dimethylamino)methyl)furan-2-yl)-N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroprop-1-ene-1,1-diamine(Z)-3-(5-((Dimethylamino)methyl)furan-2-yl)-N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroprop-1-ene-1,1-diamine
Database identifiers
- CAS
112233-25-7- PubChem CID
- 165366404
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 13
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Chemistry & industry
Applications
Uses(Z)-3-(5-((Dimethylamino)methyl)furan-2-yl)-N-(2-(((5-((dimethylamino)methyl)furan-2-yl)methyl)thio)ethyl)-N-methyl-2-nitroprop-1-ene-1,1-diamine is a degradation products of ranitidine. Ranitidine is a medication used in the treatment of stomach acid, peptic ulcer and other gastro or GIT related diseases.
Related reactions
0 records
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Compound notes
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