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Desogestrel

CAT: 0931-T6819-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T6819-01Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54024-22-5
Target
Estrogen/progestogen Receptor, Progesterone Receptor
Related Pathways
Endocrinology/Hormones, Others
Purity
0.9996
Bioactivity
Desogestrel (Cerazette) is a synthetic progestational hormone used often as the progestogenic component of combined oral contraceptive agents.
Smiles
[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H]
Molecular Formula
C22H30O
Molecular Weight
310.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Desogestrel

Desogestrel is a 17beta-hydroxy steroid and a terminal acetylenic compound. It has a role as a contraceptive drug, a synthetic oral contraceptive and a progestin.

CAS Number54024-22-5
PubChem CID40973
IUPAC Name(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-ol
Molecular FormulaC22H30O
Molecular Weight310.5
XLogP4.9
Topological Polar Surface Area20.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity605
SMILES
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CCCC[C@H]34
InChI
InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
InChIKey
RPLCPCMSCLEKRS-BPIQYHPVSA-N
Chemical Structure
2D Structure
2D structure of Desogestrel
CAS: 54024-22-5
CID: 40973
Formula: C22H30O
MW: 310.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.5
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count2
Exact Mass310.229665576
Monoisotopic Mass310.229665576
Topological Polar Surface Area20.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity605
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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