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Dutasteride EP Impurity B

CAT: 1596-AR-D00998-06Size: 250 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D00998-06Size:250 Units
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CAS Number
2512195-98-9
Synonyms
(4aR,4bS,6aS,7S,9aS,9bS,11aR) -N, N,4a,6a-tetramethyl-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
Molecular Formula
C21H32N2O2
Molecular Weight
344.50
API Name
Dutasteride

Chemical Information

N,N-Dimethyl 3-Oxo-4-aza-5Alpha-androst-1-ene-17Beta-carboxamide
CAS Number2512195-98-9
PubChem CID171380847
IUPAC Name(1S,5aR,9aR,11aS)-N,N,9a,11a-tetramethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxamide
Molecular FormulaC21H32N2O2
Molecular Weight344.5
XLogP2.2
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity627
SMILES
C[C@]12CCC3C(C1CC[C@@H]2C(=O)N(C)C)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChI
InChI=1S/C21H32N2O2/c1-20-11-9-15-13(14(20)6-7-16(20)19(25)23(3)4)5-8-17-21(15,2)12-10-18(24)22-17/h10,12-17H,5-9,11H2,1-4H3,(H,22,24)/t13?,14?,15?,16-,17-,20+,21-/m1/s1
InChIKey
FGCFOECTPSWPGU-FKLRSJPUSA-N
Chemical Structure
2D Structure
2D structure of N,N-Dimethyl 3-Oxo-4-aza-5Alpha-androst-1-ene-17Beta-carboxamide
CAS: 2512195-98-9
CID: 171380847
Formula: C21H32N2O2
MW: 344.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.5
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass344.246378268
Monoisotopic Mass344.246378268
Topological Polar Surface Area49.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity627
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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