Clothiapine
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine
| Molecular Formula | C18H18ClN3S |
|---|---|
| Molecular Weight | 343.9 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 44.1 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 343.091 |
| Heavy Atoms | 23 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 2058-52-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | KAAZGXDPUNNEFN-UHFFFAOYSA-N |
📖 Product Overview
Clothiapine (CAS: 2058-52-8) is a chemical compound with molecular formula C18H18ClN3S and molecular weight 343.9 g/mol. Its IUPAC systematic name is 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzothiazepine.
KAAZGXDPUNNEFN-UHFFFAOYSA-N.
SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.
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