Ranitidine EP Impurity K - CAS 61832-41-5
Catalog: |
BB031280 |
Product Name: |
Ranitidine EP Impurity K |
CAS: |
61832-41-5 |
Synonyms: |
N-Methyl-1-(methylthio)-2-nitroethenamine; 1-Methylthio-1-methylamino-2-nitroethylene; N-Methyl-1-(methylthio)-2-nitroethylen-1-amine |
IUPAC Name: | N-methyl-1-methylsulfanyl-2-nitroethenamine |
Description: | Ranitidine EP Impurity K is an impurity of Ranitidine. Ranitidine is a medication that decreases stomach acid production. It can be used in treatment of peptic ulcer disease. |
Molecular Weight: | 148.18 |
Molecular Formula: | C4H8N2O2S |
Canonical SMILES: | CNC(=C[N+](=O)[O-])SC |
InChI: | InChI=1S/C4H8N2O2S/c1-5-4(9-2)3-6(7)8/h3,5H,1-2H3 |
InChI Key: | YQFHPXZGXNYYLD-UHFFFAOYSA-N |
Boiling Point: | 236.5 °C at 760 mmHg |
Melting Point: | 112-114 °C |
Purity: | > 95 % |
Density: | 1.199 g/cm3 |
Appearance: | Pale yellow solid |
MDL: | MFCD00040994 |
LogP: | 1.55850 |
GHS Hazard Statement: | H315 (99.49%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021177343-A1 | Method for releasing compound | 20200304 |
CN-104258704-A | Waste gas treatment and methyl mercaptan recycling process in cimetidine and ranitidine production | 20140909 |
CN-104258704-B | Waste gas treatment and methyl mercaptan recycling process in cimetidine and ranitidine production | 20140909 |
JP-2020040989-A | Polyfluoro-substituted compounds as Bruton's tyrosine kinase (BTK) inhibitors | 20140429 |
ES-2857251-T3 | Polyfluoro compounds that act as bruton tyrosine kinase inhibitors | 20140429 |
Complexity: | 129 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 148.03064868 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.03064868 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 83.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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