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Dutasteride Impurity 31

CAT: 1299-RM-D201931-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D201931-04Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2681-55-2
Synonyms
(8S,9S,10R,13S,14S,17S) -methyl 10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate
Molecular Formula
C21H30O3
Molecular Weight
330.46
Target Alternative Name
Dutasteride
Product Name Synonym
(8S,9S,10R,13S,14S,17S) -methyl 10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylate

Chemical Information

Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
CAS Number2681-55-2
PubChem CID165014
IUPAC Namemethyl (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylate
Molecular FormulaC21H30O3
Molecular Weight330.5
XLogP4
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity606
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)OC)CCC4=CC(=O)CC[C@]34C
InChI
InChI=1S/C21H30O3/c1-20-10-8-14(22)12-13(20)4-5-15-16-6-7-18(19(23)24-3)21(16,2)11-9-17(15)20/h12,15-18H,4-11H2,1-3H3/t15-,16-,17-,18+,20-,21-/m0/s1
InChIKey
XWFWMYFLNHTEBF-YFWFAHHUSA-N
Chemical Structure
2D Structure
2D structure of Methyl (17beta)-3-oxoandrost-4-ene-17-carboxylate
CAS: 2681-55-2
CID: 165014
Formula: C21H30O3
MW: 330.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.5
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass330.21949481
Monoisotopic Mass330.21949481
Topological Polar Surface Area43.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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