chempirical

Zuclopenthixol

C22H25ClN2OSCAS 53772-83-1400.97 g/mol

Open in Covalent MOL file
HONNSCl
AlcoholAlkeneAryl halideSulfideTertiary amine

Properties

Molecular formula
C22H25ClN2OS
Molar mass
400.97 g/mol
Exact mass
400.1376 Da
logP
4.24Crippen estimate
Polar surface area
26.7 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5
Double bonds
ZE/Z, in SMILES order

Identifiers

CAS number
53772-83-1
SMILES
OCCN1CCN(CC/C=C2/c3ccccc3Sc3ccc(Cl)cc32)CC1
InChIKey
WFPIAZLQTJBIFN-DVZOWYKESA-N
InChI
InChI=1S/C22H25ClN2OS/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26/h1-2,4-8,16,26H,3,9-15H2/b18-5-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

12 names
  • 1-Piperazineethanol, 4-[(3Z)-3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-
  • 1-Piperazineethanol, 4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]-, (Z)-
  • 9H-Thioxanthene, 1-piperazineethanol deriv.
  • 4-[(3Z)-3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl]-1-piperazineethanol
  • α-Clopenthixol
  • cis-Clopenthixol
  • (Z)-Clopenthixol
  • Clopixol depo
  • Clopixol
  • Cisordinol
  • cis-(Z)-Clopenthixol
  • Acuphase

Work with Zuclopenthixol

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Chlorprothixene113-59-769 % similar Flupentixol dihydrochloride2413-38-966 % similar Chlorprothixene hydrochloride6469-93-865 % similar Perphenazine58-39-953 % similar Zotepine26615-21-440 % similar 2-[4-[(4-Chlorophenyl)phenylmethyl]piperazin-1-yl]ethanol109806-71-539 % similar Prochlorperazine58-38-838 % similar Quetiapine111974-69-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook