| CAS Number | 64053-00-5 |
| Catalog Number | AG00ECPH(AGN-PC-0TB5BW) |
| Chemical Name | Zuclopenthixol decanoate |
| IUPAC Name | 2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate |
| 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- |
| InChI Key | QRUAPADZILXULG-WKIKZPBSSA-N |
| MDL Number | MFCD03792797 |
| Molecular Formula | C32H43ClN2O2S |
| Molecular Weight | 555.2140 |
| SMILES | CCCCCCCCCC(=O)OCCN1CCN(CCC=C/2c3ccccc3Sc4ccc(Cl)cc24)CC1 |
| UNII | TSS9KIZ5OG |
| Synonyms | Zuclopenthixol decanoate,
64053-00-5,
UNII-TSS9KIZ5OG,
TSS9KIZ5OG,
Clopixol Depot,
Clopixol depot (TN),
AC1O51H7,
SCHEMBL1651217,
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl decanoate,
ZINC56898828,
AKOS015843136,
Decanoic acid, 2-(4-(3-(2-chloro-9H-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester, (Z)-,
LS-59388,
D08692,
UNII-2HFX55AF4Y component QRUAPADZILXULG-WKIKZPBSSA-N,
zuclopenthixoldecanoate,
C32-H43-Cl-N2-O2-S,
CID6450333,
2-(4-(3-(2-Chloro-9H-thioxanthen-9-ylidene)propyl)piperazinyl) decanoate,
|
| Complexity | 726 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 554.273g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 555.218g/mol |
| Monoisotopic Mass | 554.273g/mol |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 58.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number