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Dienogest EP Impurity F

CAT: 1299-RM-D090506-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-D090506-01Size:10 mg
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CAS Number
67473-36-3
Synonyms
2- ((8R,9S,10R,13S,14S,17R) -17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetonitrile
Molecular Formula
C20H27NO2
Molecular Weight
313.43
Target Alternative Name
Dienogest
Product Name Synonym
2- ((8R,9S,10R,13S,14S,17R) -17-hydroxy-13-methyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl) acetonitrile

Chemical Information

17alpha-Cyanomethyl-19-nortestosterone
CAS Number67473-36-3
PubChem CID15158993
IUPAC Name2-[(8R,9S,10R,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Molecular FormulaC20H27NO2
Molecular Weight313.4
XLogP2.7
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity614
SMILES
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C20H27NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,15-18,23H,2-10H2,1H3/t15-,16+,17+,18-,19-,20+/m0/s1
InChIKey
MGEXGMZKAAFZNS-JBKQDOAHSA-N
Chemical Structure
2D Structure
2D structure of 17alpha-Cyanomethyl-19-nortestosterone
CAS: 67473-36-3
CID: 15158993
Formula: C20H27NO2
MW: 313.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight313.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass313.204179104
Monoisotopic Mass313.204179104
Topological Polar Surface Area61.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity614
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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