Pantoprazole EP Impurity C - CAS 97963-62-7
Catalog: |
BB042083 |
Product Name: |
Pantoprazole EP Impurity C |
CAS: |
97963-62-7 |
Synonyms: |
5-(Difluoromethoxy)-2-mercapto-1H-benzimidazole |
IUPAC Name: | 5-(difluoromethoxy)-1,3-dihydrobenzimidazole-2-thione |
Description: | An impurity of Pantoprazole which is used to treat erosive esophagitis (damage to the esophagus from stomach acid), and other conditions involving excess stomach acid such as Zollinger-Ellison syndrome. |
Molecular Weight: | 216.21 |
Molecular Formula: | C8H6F2N2OS |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)F)NC(=S)N2 |
InChI: | InChI=1S/C8H6F2N2OS/c9-7(10)13-4-1-2-5-6(3-4)12-8(14)11-5/h1-3,7H,(H2,11,12,14) |
InChI Key: | HJMVPNAZPFZXCP-UHFFFAOYSA-N |
Boiling Point: | 303.5 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.858 g/cm3 |
Storage: | Sealed in dry, Store in freezer, under -20 ℃ |
MDL: | MFCD00467504 |
LogP: | 2.45300 |
GHS Hazard Statement: | H315 (90%): 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 |
CN-113173912-A | Synthetic method and application of pantoprazole sodium | 20210412 |
CN-113461664-A | Method for preparing pantoprazole sodium sesquihydrate | 20200330 |
CN-111100115-A | Method for preparing pantoprazole nitrogen oxide | 20191227 |
CN-111117136-A | Cable material | 20191227 |
CN-110885291-A | Synthetic method of 3-chloro-5- (difluoromethoxy) benzylamine | 20191213 |
PMID | Publication Date | Title | Journal |
15807990 | 20050301 | Metabolism of pantoprazole involving conjugation with glutathione in rats | The Journal of pharmacy and pharmacology |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.01689032 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.01689032 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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