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R-96544

CAT: 0013-GTR19232546-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232546-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
R-96544 is a small molecule, orally bioavailable 5-HT2A receptor antagonist. Its in vitro activity includes the inhibition of platelet aggregation, making it a useful research tool for studying serotonin signaling in cardiovascular and neurological research fields.
CAS Number
167144-80-1
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O (CC[C@H]1N (C) C[C@H] (O) C1) C2=C (CCC3=CC (OC) =CC=C3) C=CC=C2.Cl
Molecular Formula
C22H30ClNO3
Molecular Weight
391.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

R-96544 hydrochloride
CAS Number167144-80-1
PubChem CID16759150
IUPAC Name(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ol;hydrochloride
Molecular FormulaC22H30ClNO3
Molecular Weight391.9
Topological Polar Surface Area41.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity405
SMILES
CN1C[C@@H](C[C@H]1CCOC2=CC=CC=C2CCC3=CC(=CC=C3)OC)O.Cl
InChI
InChI=1S/C22H29NO3.ClH/c1-23-16-20(24)15-19(23)12-13-26-22-9-4-3-7-18(22)11-10-17-6-5-8-21(14-17)25-2;/h3-9,14,19-20,24H,10-13,15-16H2,1-2H3;1H/t19-,20-;/m1./s1
InChIKey
OUKRSTJUAQEATQ-GZJHNZOKSA-N
Chemical Structure
2D Structure
2D structure of R-96544 hydrochloride
CAS: 167144-80-1
CID: 16759150
Formula: C22H30ClNO3
MW: 391.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight391.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass391.1914215
Monoisotopic Mass391.1914215
Topological Polar Surface Area41.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity405
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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