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Chlorprothixene

CAT: 0013-GTR19163609-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163609-04Size:100 mg
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Description
Chlorprothixene is a typical antipsychotic drug of the thioxanthene class and was the first of the series to be synthesized. (In Vitro) :Chlorprothixene binds to 5-HT receptors with pKis of 8.3, 8.5, and 9.4 for 5-HT7, 5-HT6 and 5-HT2, respectively.
CAS Number
113-59-7
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
Ethanol: 28 mg/mL (88.64 mM) ; DMSO: 6 mg/mL (18.99 mM)
Smiles
CN (C) CC/C=C\1/C2=CC=CC=C2SC3=C1C=C (C=C3) Cl
Molecular Formula
C18H18ClNS
Molecular Weight
315.86
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Chlorprothixene

(Z)-chlorprothixene is a chlorprothixene in which the double bond adopts a (Z)-configuration. It is an enantiomer of an (E)-chlorprothixene.

CAS Number113-59-7
PubChem CID667467
IUPAC Name(3Z)-3-(2-chlorothioxanthen-9-ylidene)-N,N-dimethylpropan-1-amine
Molecular FormulaC18H18ClNS
Molecular Weight315.9
XLogP5.2
Topological Polar Surface Area28.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity381
SMILES
CN(C)CC/C=C\1/C2=CC=CC=C2SC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-
InChIKey
WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Chemical Structure
2D Structure
2D structure of Chlorprothixene
CAS: 113-59-7
CID: 667467
Formula: C18H18ClNS
MW: 315.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight315.9
XLogP35.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass315.0848484
Monoisotopic Mass315.0848484
Topological Polar Surface Area28.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity381
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
A8398-50Chlorprothixene
C3509-5000Chlorprothixene (hydrochloride)
MBS577255Chlorprothixene hydrochloride

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