trans-Clopenthixol
2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Also Known As: Zuclopenthixol|trans-Clopenthixol|Clopentixol|Chlorpenthixol|Clopenthixolum|CLOPENTHIXOL|Sordinol|Clopenthixol, trans|Zuclopentixol|Cisordinol|Acuphase|Clopixol|Zuclopenthixolum|transclopenthixol|(E)-Clopenthixol|alpha Clopenthixol|alpha-Clopenthixol|Cisordinol (TN)|(Z)-Clopenthixol|Acuphase (TN)|Clopixol (TN)|Clopenthixol (USAN)|Zuclopenthixol (INN)|trans(E)-Clopenthixol|Zuclopentixol [Spanish]|Clopentixol [INN-Spanish]|Zuclopenthixolum [Latin]|Clopenthixolum [INN-Latin]|.BETA.-CLOPENTHIXOL|Zuclopenthixol [BAN:INN]|Clopenthixol [USAN:INN:BAN]|Clopenthixol [USAN:BAN:INN]|EINECS 213-566-0
| Molecular Formula | C22H25ClN2OS |
|---|---|
| Molecular Weight | 400.1376 g/mol |
| LogP | 4.2363 |
| Topological Polar Surface Area | 26.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.1376 |
| Monoisotopic Mass | 400.1376 |
| Heavy Atoms | 27 |
| Complexity | 830.81256 |
Chemical Identifiers
| CAS Number | 53772-84-2 |
|---|---|
| SMILES | C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO |
Product Overview
trans-Clopenthixol (CAS 53772-84-2), with molecular formula C22H25ClN2OS and molecular weight 400.1376 g/mol. IUPAC: 2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.