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Finasteride acetate

CAT: 0931-T21668-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T21668-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
222989-99-3
Target
Others, Reductase
Related Pathways
Endocrinology/Hormones, Metabolism, Others
Bioactivity
Finasteride (MK-906) acetate is a potent and competitive 5α-reductase inhibitor with an IC50 of 4.2 nM for type II 5α-reductase, demonstrating approximately 100-fold higher affinity for type II than type I. Finasteride acetate can be used for research on benign prostatic hyperplasia (BPH) and androgenic alopecia [1] [2] [3].
Smiles
CC(O)=O.[H][C@@]12CC[C@H](C(=O)NC(C)(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])NC(=O)C=C[C@]12C
Molecular Formula
C25H40N2O4
Molecular Weight
432.605
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Finasteride acetate
CAS Number222989-99-3
PubChem CID78357778
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-tert-butyl-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide;acetic acid
Molecular FormulaC25H40N2O4
Molecular Weight432.6
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity709
SMILES
CC(=O)O.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H36N2O2.C2H4O2/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;1-2(3)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27);1H3,(H,3,4)/t14-,15-,16-,17+,18+,22-,23+;/m0./s1
InChIKey
CYWQSECJQBIRJR-ZNBOUQNXSA-N
Chemical Structure
2D Structure
2D structure of Finasteride acetate
CAS: 222989-99-3
CID: 78357778
Formula: C25H40N2O4
MW: 432.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass432.29880776
Monoisotopic Mass432.29880776
Topological Polar Surface Area95.5 Ų
Heavy Atom Count31
Formal Charge0
Complexity709
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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