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Dutasteride

CAS No.:
164656-23-9
Catalog Number:
AG001V0C
Molecular Formula:
C27H30F6N2O2
Molecular Weight:
528.5297
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
500mg
98%(HPLC)
In Stock USA
United States
$355
- +
1g
98%(HPLC)
In Stock USA
United States
$537
- +
5g
98%(HPLC)
In Stock USA
United States
$1829
- +
Product Description
Catalog Number:
AG001V0C
Chemical Name:
Dutasteride
CAS Number:
164656-23-9
Molecular Formula:
C27H30F6N2O2
Molecular Weight:
528.5297
MDL Number:
MFCD00937869
IUPAC Name:
(1S,3aS,3bS,5aR,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
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
InChI Key:
JWJOTENAMICLJG-QWBYCMEYSA-N
SMILES:
O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)Nc1cc(ccc1C(F)(F)F)C(F)(F)F)C)C
UNII:
O0J6XJN02I
NSC Number:
740477
Properties
Complexity:
964  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
7  
Defined Bond Stereocenter Count:
0
Exact Mass:
528.221g/mol
Formal Charge:
0
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
528.539g/mol
Monoisotopic Mass:
528.221g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
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Development of nomogram to predict acute urinary retention or surgical intervention, with or without dutasteride therapy, in men with benign prostatic hyperplasia. Urology 20060101
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