Oxyclothepin dimethanesulfonate
3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid
Also Known As: Oxyclothepin dimethanesulfonate|VUFB8,387|4-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-1-piperazinepropanol dimethanesulfonate|1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate|1-Piperazinepropanal, 4-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, dimethanesulfonate (salt)|3-[4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol methanesulfonate(1:2)|1-Piperazinepropanol, 4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-, dimethanesulfonate (salt)|3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol,methanesulfonic acid|3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol; methanesulfonic acid|Methanesulfonic acid--3-[4-(8-chloro-10,11-dihydrodibenzo[b,f]thiepin-10-yl)piperazin-1-yl]propan-1-ol (2/1)
| Molecular Formula | C23H33ClN2O7S3 |
|---|---|
| Molecular Weight | 580.11383 g/mol |
| LogP | 3.0964 |
| Topological Polar Surface Area | 178.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 580.11383 |
| Monoisotopic Mass | 580.11383 |
| Heavy Atoms | 36 |
| Complexity | 538.0 |
Chemical Identifiers
| CAS Number | 39494-00-3 |
|---|---|
| SMILES | CS(=O)(=O)O.CS(=O)(=O)O.C1CN(CCN1CCCO)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl |
| InChIKey | UKNSILPDRRFKCO-UHFFFAOYSA-N |
Product Overview
Oxyclothepin dimethanesulfonate (CAS 39494-00-3), with molecular formula C23H33ClN2O7S3 and molecular weight 580.11383 g/mol. IUPAC: 3-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-1-ol;methanesulfonic acid.
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