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Thiethylperazine

CAT: 0957-E6634-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-E6634-02Size:25 mg
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Description
Thiethylperazine is a phenothiazine derivative that acts as an oral dopamine D2-receptor and histamine H1-receptor antagonist. This compound functions as an ABCC1 activator and has been shown to decrease amyloid-β (Aβ) accumulation in mice. It exhibits anti-emetic, antipsychotic, and antimicrobial properties.
CAS Number
1420-55-9
Molecular Formula
C22H29N3S2

Chemical Information

Thiethylperazine

Thiethylperazine is a member of the class of phenothiazines that is perazine substituted by a ethylsulfanyl group at position 2. It has a role as a phenothiazine antipsychotic drug, a histamine antagonist, a serotonergic antagonist, a dopaminergic antagonist, a muscarinic antagonist and an antiemetic. It is a member of phenothiazines and a N-methylpiperazine. It is functionally related to a perazine.

CAS Number1420-55-9
PubChem CID5440
IUPAC Name2-ethylsulfanyl-10-[3-(4-methylpiperazin-1-yl)propyl]phenothiazine
Molecular FormulaC22H29N3S2
Molecular Weight399.6
XLogP5.4
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity455
SMILES
CCSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C
InChI
InChI=1S/C22H29N3S2/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24/h4-5,7-10,17H,3,6,11-16H2,1-2H3
InChIKey
XCTYLCDETUVOIP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiethylperazine
CAS: 1420-55-9
CID: 5440
Formula: C22H29N3S2
MW: 399.6
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight399.6
XLogP35.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass399.18029028
Monoisotopic Mass399.18029028
Topological Polar Surface Area60.3 Ų
Heavy Atom Count27
Formal Charge0
Complexity455
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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