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Adapiprazine

CAT: 0013-GTR19200595-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200595-01Size:25 mg
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Description
Adapiprazine is a structural analog of prochlorperazine with anesthetic properties. It is utilized in neuroscience research to study dopaminergic systems and sedation mechanisms in both in vitro receptor binding assays and in vivo animal models.
CAS Number
57942-72-0
Smiles
C (CCN1C=2C (SC=3C1=CC=CC3) =CC=C (Cl) C2) N4CCN (C5C6CC7CC5CC (C6) C7) CC4
Molecular Formula
C29H36ClN3S
Molecular Weight
494.13
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Adapiprazine

10-[3-[4-(2-adamantyl)-1-piperazinyl]propyl]-2-chlorophenothiazine is a member of phenothiazines.

CAS Number57942-72-0
PubChem CID62872
IUPAC Name10-[3-[4-(2-adamantyl)piperazin-1-yl]propyl]-2-chlorophenothiazine
Molecular FormulaC29H36ClN3S
Molecular Weight494.1
XLogP7.3
Topological Polar Surface Area35
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count34
Formal Charge0
Complexity683
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)C5C6CC7CC(C6)CC5C7
InChI
InChI=1S/C29H36ClN3S/c30-24-6-7-28-26(19-24)33(25-4-1-2-5-27(25)34-28)9-3-8-31-10-12-32(13-11-31)29-22-15-20-14-21(17-22)18-23(29)16-20/h1-2,4-7,19-23,29H,3,8-18H2
InChIKey
YEGURFOMLAJGMB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adapiprazine
CAS: 57942-72-0
CID: 62872
Formula: C29H36ClN3S
MW: 494.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.1
XLogP37.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass493.2318470
Monoisotopic Mass493.2318470
Topological Polar Surface Area35 Ų
Heavy Atom Count34
Formal Charge0
Complexity683
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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