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Dutasteride Impurity 39 (TFM-4AS-1)

CAT: 1596-AR-D07899-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D07899-01Size:10 Units
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CAS Number
188589-61-9
Molecular Formula
C27H33F3N2O2
Molecular Weight
474.57
API Name
Dutasteride

Chemical Information

Tfm-4AS-1
CAS Number188589-61-9
PubChem CID10277123
IUPAC Name(1S,3aS,3bS,5aR,9aR,9bS,11aS)-6,9a,11a-trimethyl-7-oxo-N-[2-(trifluoromethyl)phenyl]-2,3,3a,3b,4,5,5a,9b,10,11-decahydro-1H-indeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC27H33F3N2O2
Molecular Weight474.6
XLogP5.9
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count34
Formal Charge0
Complexity872
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NC4=CC=CC=C4C(F)(F)F)CC[C@@H]5[C@@]3(C=CC(=O)N5C)C
InChI
InChI=1S/C27H33F3N2O2/c1-25-14-12-18-16(8-11-22-26(18,2)15-13-23(33)32(22)3)17(25)9-10-20(25)24(34)31-21-7-5-4-6-19(21)27(28,29)30/h4-7,13,15-18,20,22H,8-12,14H2,1-3H3,(H,31,34)/t16-,17-,18-,20+,22+,25-,26+/m0/s1
InChIKey
YFBLEKKYWFJKBP-JZFZSVFHSA-N
Chemical Structure
2D Structure
2D structure of Tfm-4AS-1
CAS: 188589-61-9
CID: 10277123
Formula: C27H33F3N2O2
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP35.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass474.24941279
Monoisotopic Mass474.24941279
Topological Polar Surface Area49.4 Ų
Heavy Atom Count34
Formal Charge0
Complexity872
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

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