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Dutasteride Impurity 50

CAT: 1299-RM-D201950-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D201950-03Size:50 mg
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CAS Number
3510-20-1
Synonyms
3- ((3S,3aS,5aS,6R,9aS,9bS) -3-acetyl-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl) propanoic acid
Molecular Formula
C20H30O4
Molecular Weight
334.46
Target Alternative Name
Dutasteride
Product Name Synonym
3- ((3S,3aS,5aS,6R,9aS,9bS) -3-acetyl-3a,6-dimethyl-7-oxododecahydro-1H-cyclopenta[a]naphthalen-6-yl) propanoic acid

Chemical Information

Dutasteride Impurity 50
CAS Number3510-20-1
PubChem CID9997029
IUPAC Name3-[(3S,3aS,5aS,6R,9aS,9bS)-3-acetyl-3a,6-dimethyl-7-oxo-1,2,3,4,5,5a,8,9,9a,9b-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid
Molecular FormulaC20H30O4
Molecular Weight334.4
XLogP2.9
Topological Polar Surface Area71.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity568
SMILES
CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC(=O)[C@]3(C)CCC(=O)O)C
InChI
InChI=1S/C20H30O4/c1-12(21)14-5-6-15-13-4-7-17(22)20(3,11-9-18(23)24)16(13)8-10-19(14,15)2/h13-16H,4-11H2,1-3H3,(H,23,24)/t13-,14+,15-,16-,19+,20+/m0/s1
InChIKey
RIOGAYBGROBMRK-WOEIGVFJSA-N
Chemical Structure
2D Structure
2D structure of Dutasteride Impurity 50
CAS: 3510-20-1
CID: 9997029
Formula: C20H30O4
MW: 334.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass334.21440943
Monoisotopic Mass334.21440943
Topological Polar Surface Area71.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity568
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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