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Dutasteride Impurity 17

CAT: 1596-AR-D02588-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D02588-06Size:250 Units
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CAS Number
116285-36-0
Synonyms
(4aR,4bS,6aS,7S,9aS,9bS,11aR) -N- (1-hydroxy-2-methylpropan-2-yl) -4a,6a-dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxamide; (5?,17?) -N- (2-Hydroxy-1,1-dimethylethyl) -3-oxo- 4-azaandrost-1-ene-17-carboxamide; Finasteride 2- (2-Methylpropanol) amide
Molecular Formula
C23H36N2O3
Molecular Weight
388.55
API Name
Dutasteride

Chemical Information

Finasteride 2-(2-methylpropanol)amide

O-Hydroxyfinasteride is a 3-hydroxy steroid. It has a role as an androgen.

CAS Number116285-36-0
PubChem CID15230776
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-(1-hydroxy-2-methylpropan-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 FormulaC23H36N2O3
Molecular Weight388.5
XLogP2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity702
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)CO)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C23H36N2O3/c1-21(2,13-26)25-20(28)17-7-6-15-14-5-8-18-23(4,12-10-19(27)24-18)16(14)9-11-22(15,17)3/h10,12,14-18,26H,5-9,11,13H2,1-4H3,(H,24,27)(H,25,28)/t14-,15-,16-,17+,18+,22-,23+/m0/s1
InChIKey
MFUJYZCMHDCXGQ-WSBQPABSSA-N
Chemical Structure
2D Structure
2D structure of Finasteride 2-(2-methylpropanol)amide
CAS: 116285-36-0
CID: 15230776
Formula: C23H36N2O3
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP32
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass388.27259301
Monoisotopic Mass388.27259301
Topological Polar Surface Area78.4 Ų
Heavy Atom Count28
Formal Charge0
Complexity702
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