Zuclopenthixol Decanoate

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Also known as: 64053-00-5, Tss9kiz5og, 2-[4-[(3z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate, Clopixol depot, Unii-tss9kiz5og, Clopixol depot (tn)

Molecular Formula

C₃₂H₄₃ClN₂O₂S

Molecular Weight

555.2 g/mol

InChI Key

QRUAPADZILXULG-WKIKZPBSSA-N

FDA UNII

TSS9KIZ5OG

1 2D Structure

Zuclopenthixol Decanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate

2.1.2 InChI

InChI=1S/C32H43ClN2O2S/c1-2-3-4-5-6-7-8-15-32(36)37-24-23-35-21-19-34(20-22-35)18-11-13-27-28-12-9-10-14-30(28)38-31-17-16-26(33)25-29(27)31/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-

2.1.3 InChI Key

QRUAPADZILXULG-WKIKZPBSSA-N

2.1.4 Canonical SMILES

CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

2.1.5 Isomeric SMILES

CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

2.2 Other Identifiers

2.2.1 UNII

TSS9KIZ5OG

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 64053-00-5

2. Tss9kiz5og

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

4. Clopixol Depot

5. Unii-tss9kiz5og

6. Clopixol Depot (tn)

7. Schembl1651217

8. Cis-clopenthixol Decanoate

9. Chebi:177690

10. (z)-clopenthixol Decanoate

11. Dtxsid201018303

12. Clopenthixol Decanoate, Cis-

13. Zinc56898828

14. Akos015843136

15. Zuclopenthixol Decanoate [mart.]

16. Ncgc00522029-01

17. Zuclopenthixol Decanoate [who-dd]

18. Decanoic Acid, 2-(4-(3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester, (z)-

19. D08692

20. Zuclopenthixol Decanoate [ep Monograph]

21. Q27290283

22. Decanoic Acid, 2-(4-((3z)-3-(2-chloro-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester

2.4 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₄₃ClN₂O₂S
Molecular Weight	555.2 g/mol
XLogP3	9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	15
Exact Mass	554.2733775 g/mol
Monoisotopic Mass	554.2733775 g/mol
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	726
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