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Zuclopenthixol

CAS No.:
53772-83-1
Catalog Number:
AG00DF7L
Molecular Formula:
C22H25ClN2OS
Molecular Weight:
400.9647
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥98%
1 week
United States
$125
- +
250mg
≥98%
1 week
United States
$218
- +
500mg
≥98%
1 week
United States
$364
- +
Product Description
Catalog Number:
AG00DF7L
Chemical Name:
Zuclopenthixol
CAS Number:
53772-83-1
Molecular Formula:
C22H25ClN2OS
Molecular Weight:
400.9647
MDL Number:
MFCD00867744
IUPAC Name:
2-[4-[(3Z)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
InChI:
InChI=1S/C22H25ClN2OS/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/h1-2,4-8,16,26H,3,9-15H2/b18-5-
InChI Key:
WFPIAZLQTJBIFN-DVZOWYKESA-N
SMILES:
OCCN1CCN(CC1)CC/C=C\1/c2ccccc2Sc2c1cc(Cl)cc2
UNII:
47ISU063SG
Properties
Complexity:
509  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
400.138g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
400.965g/mol
Monoisotopic Mass:
400.138g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
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