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Spiclomazine free base

CAT: 0013-GTR19241972-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241972-01Size:25 mg
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Description
Spiclomazine free base is a small molecule antipsychotic agent for research use. It is employed in in vitro and in vivo studies within neuroscience and pharmacology to investigate dopaminergic pathways and neuropsychiatric disorder mechanisms.
CAS Number
24527-27-3
Field of Research
Pharmacology & Drug Discovery, Signal Transduction
Smiles
O=C1NC2 (SC1) CCN (CCCN3C=4C=CC=CC4SC5=CC=C (Cl) C=C53) CC2
Molecular Formula
C22H24ClN3OS2
Molecular Weight
446.03
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Spiclomazine

Spiclomazine is a member of phenothiazines.

CAS Number24527-27-3
PubChem CID65714
IUPAC Name8-[3-(2-chlorophenothiazin-10-yl)propyl]-1-thia-4,8-diazaspiro[4.5]decan-3-one
Molecular FormulaC22H24ClN3OS2
Molecular Weight446.0
XLogP5.3
Topological Polar Surface Area86.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity601
SMILES
C1CN(CCC12NC(=O)CS2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl
InChI
InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)
InChIKey
CFOYBMUYCBSDAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Spiclomazine
CAS: 24527-27-3
CID: 65714
Formula: C22H24ClN3OS2
MW: 446.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight446.0
XLogP35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass445.1049324
Monoisotopic Mass445.1049324
Topological Polar Surface Area86.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity601
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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