Please Wait
Applying Filters...
Menu
$ API Ref.Price (USD/KG) : 14,256Xls
2D Structure
Also known as: 85721-05-7, 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate, 349s2zhf05, Clopenthixol acetate ester, Clopixol acuphase, Clopixol-acuphase
Molecular Formula
C24H27ClN2O2S
Molecular Weight
443.0  g/mol
InChI Key
OXAUOBQMCDIVPQ-IOXNKQMXSA-N
FDA UNII
349S2ZHF05

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate
2.1.2 InChI
InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/b20-6-
2.1.3 InChI Key
OXAUOBQMCDIVPQ-IOXNKQMXSA-N
2.1.4 Canonical SMILES
CC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
2.1.5 Isomeric SMILES
CC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
2.2 Other Identifiers
2.2.1 UNII
349S2ZHF05
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (z)-4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol Acetate

2. Clopenthixol Acetate Ester

3. Clopixol-acuphase

2.3.2 Depositor-Supplied Synonyms

1. 85721-05-7

2. 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl Acetate

3. 349s2zhf05

4. Clopenthixol Acetate Ester

5. Clopixol Acuphase

6. Clopixol-acuphase

7. Cisordinol-acutard (tn)

8. Einecs 288-415-5

9. Unii-349s2zhf05

10. Schembl1651216

11. Dtxsid00235032

12. Chebi:135722

13. Zinc30691716

14. (z)-4-(3-(2-chlorothioxanthen-9-ylidene)propyl)-1-piperazineethanol Acetate

15. Akos015841102

16. Zuclopenthixol Acetate [mart.]

17. Zuclopenthixol Acetate [who-dd]

18. (z)-4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)piperazine-1-ethyl Acetate

19. D08691

20. Q27256348

21. 4-[3-[(z)-2-chloro-9h-thioxanthen-9-ylidene]propyl]-1-piperazineethanol Acetate

2.4 Create Date
2006-04-28
3 Chemical and Physical Properties
Molecular Weight 443.0 g/mol
Molecular Formula C24H27ClN2O2S
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass442.1481770 g/mol
Monoisotopic Mass442.1481770 g/mol
Topological Polar Surface Area58.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antipsychotic Agents

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus. (See all compounds classified as Antipsychotic Agents.)