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NPS-2143 hydrochloride

CAT: 0931-T4967-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T4967-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
324523-20-8
Target
CaSR
Related Pathways
GPCR/G Protein
Purity
0.9967
Bioactivity
NPS-2143 hydrochloride (NPS-2143 HCL) is a selective potent calcium ion-sensing receptor antagonist.
Smiles
Cl.CC(C)(Cc1ccc2ccccc2c1)NC[C@@H](O)COc1cccc(Cl)c1C#N
Molecular Formula
C24H25ClN2O2.HCl
Molecular Weight
445.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

NPS-2143 hydrochloride
CAS Number324523-20-8
PubChem CID9868131
IUPAC Name2-chloro-6-[(2R)-2-hydroxy-3-[(2-methyl-1-naphthalen-2-ylpropan-2-yl)amino]propoxy]benzonitrile;hydrochloride
Molecular FormulaC24H26Cl2N2O2
Molecular Weight445.4
Topological Polar Surface Area65.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity560
SMILES
CC(C)(CC1=CC2=CC=CC=C2C=C1)NC[C@H](COC3=C(C(=CC=C3)Cl)C#N)O.Cl
InChI
InChI=1S/C24H25ClN2O2.ClH/c1-24(2,13-17-10-11-18-6-3-4-7-19(18)12-17)27-15-20(28)16-29-23-9-5-8-22(25)21(23)14-26;/h3-12,20,27-28H,13,15-16H2,1-2H3;1H/t20-;/m1./s1
InChIKey
ZEBNDUQLNGYBNL-VEIFNGETSA-N
Chemical Structure
2D Structure
2D structure of NPS-2143 hydrochloride
CAS: 324523-20-8
CID: 9868131
Formula: C24H26Cl2N2O2
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass444.1371335
Monoisotopic Mass444.1371335
Topological Polar Surface Area65.3 Ų
Heavy Atom Count30
Formal Charge0
Complexity560
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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