Introduction：Basic information about CAS 171777-66-5|4-Nitrobenzoic acid-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 4-Nitrobenzoic acid-d4 |
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| CAS Number | 171777-66-5 | Molecular Weight | 171.14 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C7HD4NO4 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 4-nitrobenzoic-d4 acid |
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| Synonym | More Synonyms |
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4-Nitrobenzoic acid-d4 BiologicalActivity
| Description | 4-Nitrobenzoic acid-d4 is the deuterium labeled 1-(5-(2-fluorophenyl)-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl)-N-methylmethanamine fumarate (Vonoprazan Impurity）[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[75]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-223. |
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Chemical & Physical Properties
| Molecular Formula | C7HD4NO4 |
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| Molecular Weight | 171.14 |
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| Exact Mass | 171.04700 |
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| PSA | 83.12000 |
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| LogP | 1.81620 |
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| InChIKey | OTLNPYWUJOZPPA-RHQRLBAQSA-N |
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| SMILES | O=C(O)c1ccc([N+](=O)[O-])cc1 |
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Synonyms
| 4-O2N-C6D4-COOH |
| 4-nitro<2,3,5,6-2H4>benzoic acid |
| 4-Nitro-naphthalene-1-carbaldehyde |
| 1-Naphthalenecarboxaldehyde,4-nitro |
