Dichloroacetic Acid
(JXTHNDFMNIQAHM-UHFFFAOYSA-N)
Structure
- SMILES
- ClC(C(=O)O)Cl
- Type(s)
- Approved; Investigational
- Molecular Formula:
- C2H2Cl2O2
- Molecular Weight:
- 128.942
- Log P:
- 0.8747
- Hydrogen Bond Acceptor:
- 2
- Hydrogen Bond Donor:
- 1
- TPSA:
- 37.3
- CAS Number(s):
- 79-43-6
Synonym(s)
1.
Dichloroacetic Acid
2.
Sodium Dichloroacetate
3.
Bichloroacetic Acid
4.
Potassium Dichloroacetate
5.
Acid, Bichloroacetic
6.
Acid, Dichloroacetic
7.
Dichloroacetate, Potassium
8.
Dichloroacetate, Sodium
External Link(s)
| MeSH | D003999 |
| PubChem Compound | 6597 |
| BindingDB | 227588 |
| ChEBI | 36386 |
| CHEMBL | CHEMBL13960 |
| DrugBank | DB08809 |
| DrugCentral | 862 |
| KEGG | cpd:C11149 |
| ZINC | 3830689 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Adenoma | 3629594 | CTD | |
| 2 | Brain Edema | 8630150 | CTD | |
| 3 | Cardiovascular Abnormalities | 27518881 | CTD | |
| 4 | Chemical and Drug Induced Liver Injury | 18974089 | CTD | |
| 5 | Craniofacial Abnormalities | 15736158 | CTD | |
| 6 | Hepatomegaly | 23575800 | CTD | |
| 7 | Kidney Diseases | 17006073 | CTD | |
| 8 | Liver Neoplasms, Experimental | CTD | ||
| 9 | Liver neoplasms | 10774822 11532874 12127263 | CTD | |
| 10 | Neoplasms, Experimental | 18974089 | CTD | |
| 11 | Papilloma | 18974089 | CTD | |
| 12 | Pulmonary Valve Stenosis | 27518881 | CTD | |
| 13 | Skin Neoplasms | 18974089 | CTD | |
| 14 | Tetralogy of Fallot | 27518881 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120239
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.