Vonoprazan Impurity 28 - CAS 56448-22-7
Catalog:
BB029363
Product Name:
Vonoprazan Impurity 28
CAS:
56448-22-7
Synonyms:
2-phenyl-4-formylpyrrole; 5-Phenylpyrrole-3-carbaldehyde
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BB029363
2 mg
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IUPAC Name: 5-phenyl-1H-pyrrole-3-carbaldehyde
Description: One of the impurities of Vonoprazan, which is a potassium-competitive acid blocker and has been found to be effective in the treatment of gastroduodenal ulcer and reflux esophagitis.
Molecular Weight: 171.19
Molecular Formula: C11H9NO
Canonical SMILES: C1=CC=C(C=C1)C2=CC(=CN2)C=O
InChI: InChI=1S/C11H9NO/c13-8-9-6-11(12-7-9)10-4-2-1-3-5-10/h1-8,12H
InChI Key: CXRIBBUJKKGAGS-UHFFFAOYSA-N
Purity: 95 %
Solubility: Soluble in DMSO
Appearance: Solid
Storage: -20 ℃
LogP: 2.49420
Publication Number Title Priority Date
CA-2720991-A1 Novel optical labeling molecules in proteomics and other biological analyses 20070410
EP-2164997-A2 Novel optical labeling molecules in proteomics and other biological analyses 20070410
US-2010252433-A1 Novel optical labeling molecules for proteomics and other biological analyses 20070410
US-2014186875-A1 Novel optical labeling molecules for proteomics and other biological analysis 20070410
WO-2009005871-A2 Novel optical labeling molecules in proteomics and other biological analyses 20070410
Complexity: 175
Compound Is Canonicalized: Yes
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Exact Mass: 171.068413911
Formal Charge: 0
Heavy Atom Count: 13
Hydrogen Bond Acceptor Count: 1
Hydrogen Bond Donor Count: 1
Isotope Atom Count: 0
Monoisotopic Mass: 171.068413911
Rotatable Bond Count: 2
Topological Polar Surface Area: 32.9
Undefined Atom Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 1.8
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