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RS 67333 hydrochloride

CAT: 0931-T23265-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T23265-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
168986-60-5
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.9976
Bioactivity
RS 67333 hydrochloride (RO5203648) is a potent, selective partial agonist of the 5-HT4 receptor (5-HT4R) with a pKi value of 8.7 in guinea-pig striatum. It demonstrates lower binding affinities for other receptors, including 5-HT1A, 5-HT1D, 5-HT2A, 5-HT2C, dopamine D1 and D2, and muscarinic M1-M3 receptors. Notably, RS 67333 hydrochloride exhibits neuroprotective properties, rendering it useful in Alzheimer's disease research.
Smiles
Cl.O=C(C=1C=C(Cl)C(N)=CC1OC)CCC2CCN(CCCC)CC2
Molecular Formula
C19H30Cl2N2O2
Molecular Weight
389.36
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1-(4-Amino-5-chloro-2-methoxyphenyl)-3-[1-butyl-4-piperidinyl]-1-propanone hydrochloride
CAS Number168986-60-5
PubChem CID9800491
IUPAC Name1-(4-amino-5-chloro-2-methoxyphenyl)-3-(1-butylpiperidin-4-yl)propan-1-one;hydrochloride
Molecular FormulaC19H30Cl2N2O2
Molecular Weight389.4
Topological Polar Surface Area55.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count25
Formal Charge0
Complexity386
SMILES
CCCCN1CCC(CC1)CCC(=O)C2=CC(=C(C=C2OC)N)Cl.Cl
InChI
InChI=1S/C19H29ClN2O2.ClH/c1-3-4-9-22-10-7-14(8-11-22)5-6-18(23)15-12-16(20)17(21)13-19(15)24-2;/h12-14H,3-11,21H2,1-2H3;1H
InChIKey
XVBGLZNYWUUAFF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(4-Amino-5-chloro-2-methoxyphenyl)-3-[1-butyl-4-piperidinyl]-1-propanone hydrochloride
CAS: 168986-60-5
CID: 9800491
Formula: C19H30Cl2N2O2
MW: 389.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight389.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass388.1684336
Monoisotopic Mass388.1684336
Topological Polar Surface Area55.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity386
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

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