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Levonorgestrel Impurity P

CAT: 1596-AR-L01555-02Size: 250 UnitsDry Ice: NoHazardous: No
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CAS Number
100021-05-4
Synonyms
(8R,9S,10R,13S,14S,17R) -13-ethyl-17-ethynyl-17-hydroxy-4,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one; (17?) -13-Ethyl-17-hydroxy-18,19-dinorpregn-5-en-20-yn-3-one; Levonorgestrel EP Impurity P;5 (6) -Dehydro-4 (5) -dihydro D- (-) -Norgestrel
Molecular Formula
C21H28O2
Molecular Weight
312.46
API Name
Levonorgestrel

Chemical Information

Levonorgestrel EP Impurity P
CAS Number100021-05-4
PubChem CID91872973
IUPAC Name(8R,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP3
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity609
SMILES
CC[C@]12CC[C@@H]3[C@H]4CCC(=O)CC4=CC[C@H]3[C@@H]1CC[C@]2(C#C)O
InChI
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,5,16-19,23H,3,6-13H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1
InChIKey
LYRBZVWRTAFWPO-XUDSTZEESA-N
Chemical Structure
2D Structure
2D structure of Levonorgestrel EP Impurity P
CAS: 100021-05-4
CID: 91872973
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass312.208930132
Monoisotopic Mass312.208930132
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity609
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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