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Adatanserin hydrochloride

CAT: 0931-T29645-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T29645-01Size:1 mg
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CAS Number
144966-96-1
Target
5-HT Receptor
Related Pathways
Neuroscience, GPCR/G Protein
Purity
0.9964
Bioactivity
Adatanserin hydrochloride (WY50324 hydrochloride) is a novel 5-HT (1A) /5-HT (2) receptor ligand with potential neuroprotective effects and inhibition of ischemic efflux of endogenous amino acids, which can be used in the study of depression and anxiety disorders.
Smiles
Cl.O=C(NCCN1CCN(C2=NC=CC=N2)CC1)C34CC5CC(CC(C5)C3)C4
Molecular Formula
C21H32ClN5O
Molecular Weight
405.96
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Adatanserin Hydrochloride

See also: Adatanserin (has active moiety).

CAS Number144966-96-1
PubChem CID183784
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]adamantane-1-carboxamide;hydrochloride
Molecular FormulaC21H32ClN5O
Molecular Weight406.0
Topological Polar Surface Area61.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C1CN(CCN1CCNC(=O)C23CC4CC(C2)CC(C4)C3)C5=NC=CC=N5.Cl
InChI
InChI=1S/C21H31N5O.ClH/c27-19(21-13-16-10-17(14-21)12-18(11-16)15-21)22-4-5-25-6-8-26(9-7-25)20-23-2-1-3-24-20;/h1-3,16-18H,4-15H2,(H,22,27);1H
InChIKey
PPHCXMVJHQJEAK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Adatanserin Hydrochloride
CAS: 144966-96-1
CID: 183784
Formula: C21H32ClN5O
MW: 406.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight406.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass405.2295384
Monoisotopic Mass405.2295384
Topological Polar Surface Area61.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes