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Sunobinop

CAT: 0931-T62482-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T62482-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1126793-40-5
Target
Others, Opioid Receptor
Related Pathways
Endocrinology/Hormones, Neuroscience, Others, GPCR/G Protein
Bioactivity
Sunobinop (S 117957) is an opioid receptor-like orphan receptor (ORL1) modulator.
Smiles
O=C1N(C=2C(N=C1C(O)=O)=CC=CC2)[C@@H]3C[C@]4(N([C@@](C3)(CCC4)[H])[C@@H]5C[C@@]6(C[C@](C5)(CCC6)[H])[H])[H]
Molecular Formula
C26H33N3O3
Molecular Weight
435.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Sunobinop

Sunobinop is under investigation in clinical trial NCT04035200 (Safety, Tolerability and Efficacy Study of V117957 in Subjects With Insomnia Associated With Alcohol Cessation).

CAS Number1126793-40-5
PubChem CID155801560
IUPAC Name4-[(1R,5S)-9-[(1S,5S)-3-bicyclo[3.3.1]nonanyl]-9-azabicyclo[3.3.1]nonan-3-yl]-3-oxoquinoxaline-2-carboxylic acid
Molecular FormulaC26H33N3O3
Molecular Weight435.6
XLogP3.7
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count32
Formal Charge0
Complexity771
SMILES
C1C[C@H]2C[C@H](C1)CC(C2)N3[C@@H]4CCC[C@H]3CC(C4)N5C6=CC=CC=C6N=C(C5=O)C(=O)O
InChI
InChI=1S/C26H33N3O3/c30-25-24(26(31)32)27-22-9-1-2-10-23(22)29(25)21-14-18-7-4-8-19(15-21)28(18)20-12-16-5-3-6-17(11-16)13-20/h1-2,9-10,16-21H,3-8,11-15H2,(H,31,32)/t16-,17-,18-,19+,21?/m0/s1
InChIKey
COTYYZPYDJKKIS-MCXOOUIESA-N
Chemical Structure
2D Structure
2D structure of Sunobinop
CAS: 1126793-40-5
CID: 155801560
Formula: C26H33N3O3
MW: 435.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.6
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass435.25219192
Monoisotopic Mass435.25219192
Topological Polar Surface Area73.2 Ų
Heavy Atom Count32
Formal Charge0
Complexity771
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19186120-01Sunobinop

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