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Levonorgestrel Impurity I

CAT: 1596-AR-L01551-02Size: 150Dry Ice: NoHazardous: No
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CAS Number
21508-50-9
Synonyms
(8S,9S,10S,13S,14S,17R) -13-ethyl-17-ethynyl-10,17-dihydroxy-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3 (2H) -one;10?-Hydroxy Levonorgestrel; (17?) -13-Ethyl-10,17-dihydroxy-18,19-dinorpregn-4-en-20-yn-3-one; 13-Ethyl-10,17-dihydroxy-18,19-dinor-17?-pregn-4-en-20-yn-3-one; Levonorgestrel Impurity I (EP) ; (10-beta-Hydroxy Levonorgestrel)
Molecular Formula
C21H28O3
Molecular Weight
328.46
API Name
Levonorgestrel

Chemical Information

Levonorgestrel EP Impurity I
CAS Number21508-50-9
PubChem CID71748888
IUPAC Name(8S,9S,10S,13S,14S,17R)-13-ethyl-17-ethynyl-10,17-dihydroxy-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O3
Molecular Weight328.4
XLogP1.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count24
Formal Charge0
Complexity655
SMILES
CC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@]34O
InChI
InChI=1S/C21H28O3/c1-3-19-10-8-18-16(17(19)9-11-20(19,23)4-2)6-5-14-13-15(22)7-12-21(14,18)24/h2,13,16-18,23-24H,3,5-12H2,1H3/t16-,17-,18-,19-,20-,21+/m0/s1
InChIKey
ZMTZYQYDIREIIA-HXIANDDZSA-N
Chemical Structure
2D Structure
2D structure of Levonorgestrel EP Impurity I
CAS: 21508-50-9
CID: 71748888
Formula: C21H28O3
MW: 328.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.4
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass328.20384475
Monoisotopic Mass328.20384475
Topological Polar Surface Area57.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity655
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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