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Osanetant (monohydrochloride)

CAT: 0804-HY-14551CSize: 1 EachDry Ice: NoHazardous: No
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Description
Osanetant (SR142801) monohydrochloride is a selective NK3 receptor antagonist. Osanetant monohydrochloride produces anxiolytic- and antidepressant-like effects[1].
CAS Number
173050-51-6
Product Name Alternative
SR142801 (monohydrochloride)
UNSPSC
12352005
Target
Neurokinin Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Smiles
O=C(N1C[C@@](CCCN2CCC(N(C(C)=O)C)(C3=CC=CC=C3)CC2)(C4=CC=C(Cl)C(Cl)=C4)CCC1)C5=CC=CC=C5.Cl
Molecular Formula
C35H42Cl3N3O2
Molecular Weight
643.09
References & Citations
[1]Salomé N, et al. Selective blockade of NK2 or NK3 receptors produces anxiolytic- and antidepressant-like effects in gerbils. Pharmacol Biochem Behav. 2006 Apr;83 (4) :533-9.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2

Chemical Information

Acetamide, N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N-methyl-, hydrochloride (1:1)
CAS Number173050-51-6
PubChem CID9874213
IUPAC NameN-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)piperidin-3-yl]propyl]-4-phenylpiperidin-4-yl]-N-methylacetamide;hydrochloride
Molecular FormulaC35H42Cl3N3O2
Molecular Weight643.1
Topological Polar Surface Area43.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count43
Formal Charge0
Complexity897
SMILES
CC(=O)N(C)C1(CCN(CC1)CCC[C@@]2(CCCN(C2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5.Cl
InChI
InChI=1S/C35H41Cl2N3O2.ClH/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28;/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3;1H/t34-;/m0./s1
InChIKey
NKFREVJOQXEZID-GXUZKUJRSA-N
Chemical Structure
2D Structure
2D structure of Acetamide, N-[1-[3-[(3R)-1-benzoyl-3-(3,4-dichlorophenyl)-3-piperidinyl]propyl]-4-phenyl-4-piperidinyl]-N-methyl-, hydrochloride (1:1)
CAS: 173050-51-6
CID: 9874213
Formula: C35H42Cl3N3O2
MW: 643.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight643.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass641.234261
Monoisotopic Mass641.234261
Topological Polar Surface Area43.9 Ų
Heavy Atom Count43
Formal Charge0
Complexity897
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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