식별자 및 물리적 특성
| CAS No. | 13425-80-4 |
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| 분자식 | C2HCl2O2- |
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| 평균 분자량 | 127.93 g/mol |
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| 단동위원소 질량 | 126.93590821 g/mol |
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| SMILES | O=C([O-])C(Cl)Cl |
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| InChIKey | JXTHNDFMNIQAHM-UHFFFAOYSA-M |
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| PubChem CID | 25975 |
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| ChEBI | CHEBI:28240 |
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| DTXSID | DTXSID40158610 |
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| 현지명 | 디클로로아세트산 |
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화학 및 물리적 성질
| XLogP | 1.8 |
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| 극성 표면적 | 40.1 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 2 |
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| 회전 가능 결합 수 | 0 |
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| 무거운 원자 수 | 6 |
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| 형식 전하 | -1 |
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| 복잡도 | 55.1 |
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안전 및 규제
| 건강 영향 | Multiple independent studies demonstrate that DCA has the ability to alter normal carbohydrate metabolism. Dichloroacetic acid treatment results in a significant reduction in plasma levels of glucose, pyruvate, and lactate. Another consistent finding in DCA ingestion studies is a dose-related increase in liver size, generally accompanied (or caused) by an increase in glycogen deposition in the liver. There is an extensive and consistent data base demonstrating the reproductive toxicity of DCA in males and females. Neurologic symptoms and morphologic changes in the nervous system have been reported in humans, dogs, and rats. (L2086) |
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| 노출 경로 | Ingestion |
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| 독성 요약 | The dichloroacetate ion stimulates the activity of the enzyme pyruvate dehydrogenase by inhibiting the enzyme pyruvate dehydrogenase kinase. Thus, it decreases lactate production by shifting the metabolism of pyruvate from fermentation towards oxidation in the mitochondria. (Wikipedia) |
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| Carcinogen Classification | 2B, possibly carcinogenic to humans. (L135) |
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| Toxicity Data | ORAL (LD50): Acute: 2820 mg/kg [Rat]DERMAL (LD50): Acute: 510 mg/kg [Rabbit] |
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