Products for Research Use Only
RegisterLogin

5β-​Dutasteride

CAT: 0013-GTR19206599-01Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19206599-01Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
5β-Dutasteride is the (S) -enantiomer of dutasteride and acts as a potent dual inhibitor of both Type 1 and Type 2 5α-reductase isozymes. It is widely used in biochemical research to study androgen metabolism in models of benign prostatic hyperplasia (BPH) and androgenic alopecia, both in vitro and in vivo.
CAS Number
957229-52-6
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C[C@@]12[C@] ([C@]3 ([C@@] ([C@]4 (C) [C@] (CC3) (NC (=O) C=C4) [H]) (CC1) [H]) [H]) (CC[C@@H]2C (NC5=C (C (F) (F) F) C=CC (C (F) (F) F) =C5) =O) [H]
Molecular Formula
C27H30F6N2O2
Molecular Weight
528.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Beta-Dutasteride
CAS Number957229-52-6
PubChem CID92403462
IUPAC Name(1S,3aS,3bS,5aS,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-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 FormulaC27H30F6N2O2
Molecular Weight528.5
XLogP5.4
Topological Polar Surface Area58.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count37
Formal Charge0
Complexity964
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@H]5[C@@]3(C=CC(=O)N5)C
InChI
InChI=1S/C27H30F6N2O2/c1-24-11-9-17-15(4-8-21-25(17,2)12-10-22(36)35-21)16(24)6-7-19(24)23(37)34-20-13-14(26(28,29)30)3-5-18(20)27(31,32)33/h3,5,10,12-13,15-17,19,21H,4,6-9,11H2,1-2H3,(H,34,37)(H,35,36)/t15-,16-,17-,19+,21-,24-,25+/m0/s1
InChIKey
JWJOTENAMICLJG-LKOHVCGWSA-N
Chemical Structure
2D Structure
2D structure of 5-Beta-Dutasteride
CAS: 957229-52-6
CID: 92403462
Formula: C27H30F6N2O2
MW: 528.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight528.5
XLogP35.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass528.22114718
Monoisotopic Mass528.22114718
Topological Polar Surface Area58.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity964
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19163635-01Dutasteride
GTR19175424-01Dutasteride
GTR19229776-01Dihydro Dutasteride
GTR180271505.5 Antibody
GTR180270775.5 Antibody
GTR19235383-01FABP4/5-IN-5
GTR19182420-015,5'-Dimethoxylariciresinol
GTR180271485.5 Antibody
GTR19230899-015-LOX-IN-5
GTR19221943-015,5'-Dimethoxysecoisolariciresinol

Alternative Products

CatalogName
sc-4973355β-Dutasteride
T10179-015β-​Dutasteride
AR-D04362-015ß-Dutasteride
AR-D02576-01Dutasteride Impurity 5
RM-D201927-015β-Dutasteride Impurity
FD22629-01Dutasteride

Popular Products