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Rilapine

CAT: 0931-T26085-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T26085-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
79781-95-6
Target
5-HT Receptor, Others
Related Pathways
Neuroscience, GPCR/G Protein, Others
Purity
0.992
Bioactivity
Rilapine (Rilapinum) is an antipsychotic compound that shows high affinity for 5-HT6 receptors and can be used to study neurological disorders.
Smiles
C(\C#N)=C/1\C=2C(C(=CC=3C1=CC=C(Cl)C3)N4CCN(C)CC4)=CC=CC2
Molecular Formula
C22H20ClN3
Molecular Weight
361.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Rilapine

Rilapine is a small molecule drug. Rilapine has a monoisotopic molecular weight of 361.13 Da.

CAS Number79781-95-6
PubChem CID10090005
IUPAC Name(2Z)-2-[6-chloro-10-(4-methylpiperazin-1-yl)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenylidene]acetonitrile
Molecular FormulaC22H20ClN3
Molecular Weight361.9
XLogP4.1
Topological Polar Surface Area30.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity623
SMILES
CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)/C(=C/C#N)/C4=CC=CC=C42
InChI
InChI=1S/C22H20ClN3/c1-25-10-12-26(13-11-25)22-15-16-14-17(23)6-7-18(16)20(8-9-24)19-4-2-3-5-21(19)22/h2-8,14-15H,10-13H2,1H3/b20-8-
InChIKey
UJCYUJOQBXHJFH-ZBKNUEDVSA-N
Chemical Structure
2D Structure
2D structure of Rilapine
CAS: 79781-95-6
CID: 10090005
Formula: C22H20ClN3
MW: 361.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.9
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass361.1345753
Monoisotopic Mass361.1345753
Topological Polar Surface Area30.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity623
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
BUP03392-01Rilapine

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