![2,4-Difluoro-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline](https://resource.bocsci.com/structure/941166-01-4.gif)
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| IUPAC Name: | 2,4-difluoro-5-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)aniline |
| Description: | 2,4-Difluoro-5-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}aniline is a derivative of 3-(3,4-Dichlorophenyl)-6,7,8,9-tetrahydro-5H-1,2,4-triazolo[4,3-a]azepine (CAS# 400082-60-2), which has therapeutic applications in treatment of metabolic syndrome and is a hydroxysteroid dehydrogenase inhibitor-antihypertensive agent. |
| Molecular Weight: | 264.27 |
| Molecular Formula: | C13H14N4F2 |
| Canonical SMILES: | C1CCC2=NN=C(N2CC1)C3=CC(=C(C=C3F)F)N |
| InChI: | InChI=1S/C13H14F2N4/c14-9-7-10(15)11(16)6-8(9)13-18-17-12-4-2-1-3-5-19(12)13/h6-7H,1-5,16H2 |
| InChI Key: | QEKPXVDIUONEPR-UHFFFAOYSA-N |
| Melting Point: | 222-223°C |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | Light Orange to Light Brown Solid |
| Storage: | -20°C Freezer, Under inert atmosphere |
| References: | Kampen, G. C. T., et al. PCT Int. Appl. (2004), WO 2004089416 A2. |
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