HF-2159 hydrochloride
8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride
| Molecular Formula | C18H19Cl2N3S |
|---|---|
| Molecular Weight | 380.3 g/mol |
| Topological Polar Surface Area | 45.3 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 379.0677 |
| Heavy Atoms | 24 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 4956-31-4 |
|---|---|
| SMILES | CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-] |
| InChIKey | HBBGEMOWBPOXIL-UHFFFAOYSA-N |
📖 Product Overview
HF-2159 hydrochloride (CAS: 4956-31-4) is a chemical compound with molecular formula C18H19Cl2N3S and molecular weight 380.3 g/mol. Its IUPAC systematic name is 8-chloro-6-(4-methylpiperazin-1-ium-1-yl)benzo[b][1,4]benzothiazepine chloride.
HBBGEMOWBPOXIL-UHFFFAOYSA-N.
SMILES: CN1CC[NH+](CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.[Cl-].
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