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Zuclopenthixol Succinate Salt

CAT: 0024-sc-213191Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-213191Size:1 mg
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CAS Number
1246833-58-8

Chemical Information

trans-Clopenthixol Succinate Salt
CAS Number1246833-58-8
PubChem CID71314943
IUPAC Namebutanedioic acid;2-[4-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Molecular FormulaC26H31ClN2O5S
Molecular Weight519.1
Topological Polar Surface Area127
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity601
SMILES
C1CN(CCN1CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCO.C(CC(=O)O)C(=O)O
InChI
InChI=1S/C22H25ClN2OS.C4H6O4/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;5-3(6)1-2-4(7)8/h1-2,4-8,16,26H,3,9-15H2;1-2H2,(H,5,6)(H,7,8)/b18-5+;
InChIKey
KUEAHHOXAMWWOW-RZFZGDDESA-N
Chemical Structure
2D Structure
2D structure of trans-Clopenthixol Succinate Salt
CAS: 1246833-58-8
CID: 71314943
Formula: C26H31ClN2O5S
MW: 519.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass518.1642210
Monoisotopic Mass518.1642210
Topological Polar Surface Area127 Ų
Heavy Atom Count35
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-Z701500-1MGZuclopenthixol Succinate Salt
HY-A0163SZuclopenthixol-d4 (succinate salt)
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TRC-Z701495-50MGZuclopenthixol (-)-10-Camphorsulfonic Acid Salt
023009Zuclopenthixol (-) -10-Camphorsulfonic Acid Salt
HY-W766799Zuclopenthixol (-) -10-camphorsulfonic acid salt-d4
TRC-Z701497-1MGZuclopenthixol-d4 (-)-10-Camphorsulfonic Acid Salt
023010Zuclopenthixol-d4 (-) -10-Camphorsulfonic Acid Salt
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