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(+) -Norgestrel

CAT: 0931-T29248-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29248-01Size:25 mg
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CAS Number
797-64-8
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Bioactivity
(+) -Norgestrel is a progestin medication for the treatment of birth control pills and in menopausal hormone therapy.
Smiles
C(C)[C@]12[C@@]([C@@]3([C@@](CC1)([C@]4(C(CC3)=CC(=O)CC4)[H])[H])[H])(CC[C@@]2(C#C)O)[H]
Molecular Formula
C21H28O2
Molecular Weight
312.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(8alpha,9beta,10alpha,13alpha,14beta)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one

Dextronorgestrel is the (+)-enantiomer of norgestrel. It is a 17-ethynyl-17-hydroxy-18a-homoestr-4-en-3-one and a 17alpha-hydroxy steroid. It is an enantiomer of a levonorgestrel.

CAS Number797-64-8
PubChem CID62929
IUPAC Name(8S,9R,10S,13R,14R,17S)-13-ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC21H28O2
Molecular Weight312.4
XLogP3.3
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]([C@H]1CC[C@@]2(C#C)O)CCC4=CC(=O)CC[C@@H]34
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/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m1/s1
InChIKey
WWYNJERNGUHSAO-XHCJJCCMSA-N
Chemical Structure
2D Structure
2D structure of (8alpha,9beta,10alpha,13alpha,14beta)-13-Ethyl-17-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one
CAS: 797-64-8
CID: 62929
Formula: C21H28O2
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.3
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

Alternative Products

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584397Norgestrel
AR-N01829-01(+) -Norgestrel
MBS5778906(+)-Norgestrel
FN39364-01(-) -Norgestrel
HY-W743417(-) -Norgestrel-d6
FN26454-01D- (-) -Norgestrel

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