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Dienogest

CAT: 0127-OR1024622-04Size: 25 gDry Ice: NoHazardous: No
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CAT#:0127-OR1024622-04Size:25 g
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CAS Number
65928-58-7
Synonyms
2-[ (8S,13S,14S,17R) -17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Purity
99%
Smiles
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O

Chemical Information

Dienogest

Dienogest is a steroid hormone that is 17beta-hydroxy-3-oxoestra-4,9-diene substituted at position 17 by a cyanomethyl group. Used as an oral contraceptive. It has a role as a synthetic oral contraceptive, a progestin and a progesterone receptor agonist. It is a steroid hormone, a 17beta-hydroxy steroid, a 3-oxo-Delta(4) steroid and an aliphatic nitrile. It derives from a hydride of an estrane.

CAS Number65928-58-7
PubChem CID68861
IUPAC Name2-[(8S,13S,14S,17R)-17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]acetonitrile
Molecular FormulaC20H25NO2
Molecular Weight311.4
XLogP1.8
Topological Polar Surface Area61.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity679
SMILES
C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@]2(CC#N)O
InChI
InChI=1S/C20H25NO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h12,17-18,23H,2-10H2,1H3/t17-,18+,19+,20-/m1/s1
InChIKey
AZFLJNIPTRTECV-FUMNGEBKSA-N
Chemical Structure
2D Structure
2D structure of Dienogest
CAS: 65928-58-7
CID: 68861
Formula: C20H25NO2
MW: 311.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass311.188529040
Monoisotopic Mass311.188529040
Topological Polar Surface Area61.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity679
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T2577-01Dienogest

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