98219-61-5 Purity
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Specification
The molecular formula of Clopenthixol is C22H25ClN2OS.
The molecular weight of Clopenthixol is 401.0 g/mol.
Some synonyms of Clopenthixol are trans-Clopenthixol, Chlorpenthixol, and Clopentixol.
The IUPAC name of Clopenthixol is 2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol.
The InChIKey of Clopenthixol is WFPIAZLQTJBIFN-BLLMUTORSA-N.
The canonical SMILES of Clopenthixol is C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.
The CAS number of Clopenthixol is 53772-84-2.
The ChEMBL ID of Clopenthixol is CHEMBL87385.
The XLogP3 value of Clopenthixol is 4.3.
The topological polar surface area of Clopenthixol is 52?2.