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Desogestrel

CAT: 0013-GTR19168053-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168053-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Desogestrel is a synthetic progestin commonly utilized in combined oral contraceptives. In research, it is applied in pharmacological studies to investigate progestogenic activity and mechanisms in both in vitro receptor assays and in vivo models of reproductive endocrinology.
CAS Number
54024-22-5
Product Name Alternative
Progesterone Receptor, ProgesteroneReceptor, progestogen Receptor, progestogenReceptor, PR, Org2969, Org-2969, Org 2969, Inhibitor, NR3C3, inhibit, EstrogenReceptor, Estrogen Receptor, ER, Cerazette, Desogen, Desogestrel, Desogestrelum
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.80% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.22 mM) ; Ethanol:58 mg/mL (186.81 mM) ; DMSO:58 mg/mL (186.81 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble)
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
Storage Conditions
-20°C
Notes
For research use only.

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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