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Tebideutorexant

CAT: 0127-BUP22999-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP22999-02Size:25 mg
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CAS Number
1637681-55-0
Synonyms
JNJ61393215
Purity
≥98%
Smiles
C (=O) (N1[C@@]2 ([C@H] (OC3=CC=C (C (F) (F) F) C=N3) C[C@@] (C2) (C1 ([2H]) [2H]) [H]) [H]) C4=C (C (F) =CC=C4) C=5N=CC=CN5

Chemical Information

Jnj-61393215

Tebideutorexant is a small molecule drug. The usage of the INN stem '-orexant' in the name indicates that Tebideutorexant is a orexin receptor antagonist. Tebideutorexant has a monoisotopic molecular weight of 460.15 Da.

CAS Number1637681-55-0
PubChem CID139030979
IUPAC Name[(1S,4R,6R)-3,3-dideuterio-6-[[5-(trifluoromethyl)-2-pyridinyl]oxy]-2-azabicyclo[2.2.1]heptan-2-yl]-(3-fluoro-2-pyrimidin-2-ylphenyl)methanone
Molecular FormulaC23H18F4N4O2
Molecular Weight460.4
XLogP3.9
Topological Polar Surface Area68.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity704
SMILES
[2H]C1([C@@H]2C[C@H](N1C(=O)C3=C(C(=CC=C3)F)C4=NC=CC=N4)[C@@H](C2)OC5=NC=C(C=C5)C(F)(F)F)[2H]
InChI
InChI=1S/C23H18F4N4O2/c24-16-4-1-3-15(20(16)21-28-7-2-8-29-21)22(32)31-12-13-9-17(31)18(10-13)33-19-6-5-14(11-30-19)23(25,26)27/h1-8,11,13,17-18H,9-10,12H2/t13-,17+,18-/m1/s1/i12D2
InChIKey
HUKWIAXQBOHZIX-USKNZQBOSA-N
Chemical Structure
2D Structure
2D structure of Jnj-61393215
CAS: 1637681-55-0
CID: 139030979
Formula: C23H18F4N4O2
MW: 460.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.4
XLogP33.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass460.14914197
Monoisotopic Mass460.14914197
Topological Polar Surface Area68.2 Ų
Heavy Atom Count33
Formal Charge0
Complexity704
Isotope Atom Count2
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-147403S-01Tebideutorexant

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