Introduction：Basic information about CAS 478954-81-3|Monobutyl phthalate-d4, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Monobutyl phthalate-d4 |
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| CAS Number | 478954-81-3 | Molecular Weight | 222.23700 |
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| Density | / | Boiling Point | / |
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| Molecular Formula | C12H14O4 | Melting Point | / |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2-butoxycarbonyl-3,4,5,6-tetradeuteriobenzoic acid |
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| Synonym | More Synonyms |
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Monobutyl phthalate-d4 BiologicalActivity
| Description | Monobutyl phthalate-d4 is the deuterium labeled Monobutyl phthalate[1]. Monobutyl phthalate, a major metabolite of dibutyl phthalate (DBP), possesses antiandrogenic effects. Monobutyl phthalate is an embryotoxicant[2][3]. |
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| Related Catalog | Signaling 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[1]. |
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| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216. [2]. van Dartel DA, et al. Early gene expression changes during embryonic stem cell differentiation into cardiomyocytes and their modulation by monobutyl phthalate. Reprod Toxicol. 2009 Apr;27(2):93-102. [3]. Ema M, et al. Antiandrogenic effects of dibutyl phthalate and its metabolite, monobutyl phthalate, in rats. Congenit Anom (Kyoto). 2002 Dec;42(4):297-308. |
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Chemical & Physical Properties
| Molecular Formula | C12H14O4 |
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| Molecular Weight | 222.23700 |
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| Exact Mass | 222.08900 |
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| PSA | 63.60000 |
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| LogP | 2.34170 |
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| InChIKey | YZBOVSFWWNVKRJ-UGWFXTGHSA-N |
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| SMILES | CCCCOC(=O)c1ccccc1C(=O)O |
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Synonyms
| Mono-n-butyl Phthalate-d4 |
| Phthalic Acid-d4 Butyl Ester |
| MnBP-d4 |
| Butyl Hydrogen Phthalate-d4 |
| Monobutyl Phthalate-d4 |
