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Finasteride-d9

CAT: 0931-TMIJ-0225-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TMIJ-0225-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1131342-85-2
Target
Reductase
Related Pathways
Endocrinology/Hormones, Metabolism
Bioactivity
Finasteride-d9 is a deuterated compound of Finasteride. Finasteride has a CAS number of 98319-26-7. Finasteride is an oral inhibitor of active testosterone 5-alpha-reductase and Ki value is 10 nM.
Smiles
C[C@]12CC[C@]3([H])[C@@]4(C)C=CC(=O)N[C@]4([H])CC[C@@]3([H])[C@]1([H])CC[C@@H]2C(=O)NC(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Molecular Formula
C23H27D9N2O2
Molecular Weight
381.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Finasteride-d9
CAS Number1131342-85-2
PubChem CID25224489
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC23H36N2O2
Molecular Weight381.6
XLogP3
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity678
SMILES
[2H]C([2H])([2H])C(C([2H])([2H])[2H])(C([2H])([2H])[2H])NC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C
InChI
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1/i1D3,2D3,3D3
InChIKey
DBEPLOCGEIEOCV-BSRKVXQGSA-N
Chemical Structure
2D Structure
2D structure of Finasteride-d9
CAS: 1131342-85-2
CID: 25224489
Formula: C23H36N2O2
MW: 381.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.6
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass381.334169109
Monoisotopic Mass381.334169109
Topological Polar Surface Area58.2 Ų
Heavy Atom Count27
Formal Charge0
Complexity678
Isotope Atom Count9
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A5143-200Finasteride

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