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RS102895 hydrochloride

CAT: 0931-T12773-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T12773-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1173022-16-6
Target
5-HT Receptor, CCR
Related Pathways
GPCR/G Protein, Immunology/Inflammation, Microbiology/Virology, Neuroscience
Purity
0.997
Bioactivity
RS102895 hydrochloride is a potent antagonist of CCR2 (IC50 of 360 nM) .
Smiles
Cl.FC(F)(F)c1ccc(CCN2CCC3(CC2)OC(=O)Nc2ccccc32)cc1
Molecular Formula
C21H22ClF3N2O2
Molecular Weight
426.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

RS 102895 hydrochloride
CAS Number1173022-16-6
PubChem CID16759153
IUPAC Name1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1H-3,1-benzoxazine-4,4'-piperidine]-2-one;hydrochloride
Molecular FormulaC21H22ClF3N2O2
Molecular Weight426.9
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity552
SMILES
C1CN(CCC12C3=CC=CC=C3NC(=O)O2)CCC4=CC=C(C=C4)C(F)(F)F.Cl
InChI
InChI=1S/C21H21F3N2O2.ClH/c22-21(23,24)16-7-5-15(6-8-16)9-12-26-13-10-20(11-14-26)17-3-1-2-4-18(17)25-19(27)28-20;/h1-8H,9-14H2,(H,25,27);1H
InChIKey
KRRISOFSWVKYBF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of RS 102895 hydrochloride
CAS: 1173022-16-6
CID: 16759153
Formula: C21H22ClF3N2O2
MW: 426.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight426.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass426.1321901
Monoisotopic Mass426.1321901
Topological Polar Surface Area41.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity552
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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Alternative Products

CatalogName
MBS3845355-01RS102895 hydrochloride
A20918-5RS102895 hydrochloride 5mg
A20918-100RS102895 hydrochloride 100mg
A20918-50RS102895 hydrochloride 50mg
A20918-25RS102895 hydrochloride 25mg
A20918-2RS102895 hydrochloride 2mg
A20918-10RS102895 hydrochloride 10mg
A20918-10mM-DRS102895 hydrochloride 10mM * 1mL in DMSO
217756RS 102895 Hydrochloride (1’-[2-[4- (Trifluoromethyl) phenyl]ethyl]-spiro[4H-3,1-benzoxazine-4,4’-piperidin]-2 (1H) -one Hydrochloride, RS 102895, RS102895)
BA5247-5.1RS102895

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