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Zuclopenthixol Acetate

Zuclopenthixol Acetate

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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

Zuclopenthixol Acetate

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 Formula	C₂₄H₂₇ClN₂O₂S
Molecular Weight	443.0 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	442.1481770 g/mol
Monoisotopic Mass	442.1481770 g/mol
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	608
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)