Introduction：Basic information about CAS 17157-12-9|(2H7)Isoquinoline, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (2H7)Isoquinoline |
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| CAS Number | 17157-12-9 | Molecular Weight | 136.202 |
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| Density | 1.1±0.1 g/cm3 | Boiling Point | 243.2±0.0 °C at 760 mmHg |
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| Molecular Formula | C9D7N | Melting Point | / |
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| MSDS | / | Flash Point | 107.2±0.0 °C |
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Names
| Name | isoquinoline-d7 |
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| Synonym | More Synonyms |
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(2H7)Isoquinoline BiologicalActivity
| Description | Isoquinoline-d7 is the deuterium labeled Isoquinoline[1]. Isoquinoline is an analog of?pyridine. Isoquinoline structural-based alkaloids, such as tropoloisoquinoline, phthalideisoquinoline, and naphthylisoquinoline has anti-cancer activities[2]. |
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| Related Catalog | Research Areas >>CancerSignaling 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]. Zhi-Xing Qing, et al. Anticancer and Reversing Multidrug Resistance Activities of Natural Isoquinoline Alkaloids and Their Structure-activity Relationship. Curr Med Chem |
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Chemical & Physical Properties
| Density | 1.1±0.1 g/cm3 |
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| Boiling Point | 243.2±0.0 °C at 760 mmHg |
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| Molecular Formula | C9D7N |
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| Molecular Weight | 136.202 |
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| Flash Point | 107.2±0.0 °C |
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| Exact Mass | 136.101791 |
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| PSA | 12.89000 |
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| LogP | 1.96 |
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| Vapour Pressure | 0.1±0.4 mmHg at 25°C |
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| Index of Refraction | 1.642 |
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| InChIKey | AWJUIBRHMBBTKR-GSNKEKJESA-N |
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| SMILES | c1ccc2cnccc2c1 |
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Synonyms
| Heptadecylammonium-chlorid |
| D7-isoquinoline |
| heptadecan-1-amine hydrochloride |
| Heptadeuterio-isochinolin |
| Tetra-n-heptadecylammonium |
| Isochinolin-d7 |
| heptadecylamine,hydrochloride |
| (H)Isoquinoline |
| Isoquinoline-d |
| Heptadecylamin,Hydrochlorid |
