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Delta-5 (6) -Norethindrone

CAT: 1596-AR-N01756-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01756-01Size:10 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22933-71-7
Synonyms
(17?) -17-Hydroxy-19-norpregn-5-en-20-yn-3-one; 17-Hydroxy-19-nor-17?-pregn-5-en-20-yn-3-one; Norethisterone Impurity C (EP) ; Norethindrone EP Impurity C; (Norethindrone Impurity C)
Molecular Formula
C20H26O2
Molecular Weight
298.43
API Name
Norethindrone

Chemical Information

delta-5(6)-Norethindrone
CAS Number22933-71-7
PubChem CID71751195
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-1,2,4,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC20H26O2
Molecular Weight298.4
XLogP2.7
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity594
SMILES
C[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/C20H26O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,4,15-18,22H,5-12H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
InChIKey
QGQUHXSBTSDAML-XGXHKTLJSA-N
Chemical Structure
2D Structure
2D structure of delta-5(6)-Norethindrone
CAS: 22933-71-7
CID: 71751195
Formula: C20H26O2
MW: 298.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight298.4
XLogP32.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass298.193280068
Monoisotopic Mass298.193280068
Topological Polar Surface Area37.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity594
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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