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Trimegestone

CAT: 0926-FT39363-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-FT39363-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74513-62-5
MDL Number
MFCD00866261
Smiles
C[C@@H] (C (=O) [C@]1 (CC[C@@H]2[C@@]1 (CCC3=C4CCC (=O) C=C4CC[C@@H]23) C) C) O
Molecular Formula
C22H30O3
Molecular Weight
342.47 g/mol
Controlled
No

Chemical Information

Trimegestone

Trimegestone is a 20-oxo steroid.

CAS Number74513-62-5
PubChem CID68926
IUPAC Name(8S,13S,14S,17S)-17-[(2S)-2-hydroxypropanoyl]-13,17-dimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC22H30O3
Molecular Weight342.5
XLogP2.6
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity700
SMILES
C[C@@H](C(=O)[C@]1(CC[C@@H]2[C@@]1(CCC3=C4CCC(=O)C=C4CC[C@@H]23)C)C)O
InChI
InChI=1S/C22H30O3/c1-13(23)20(25)22(3)11-9-19-18-6-4-14-12-15(24)5-7-16(14)17(18)8-10-21(19,22)2/h12-13,18-19,23H,4-11H2,1-3H3/t13-,18+,19-,21-,22+/m0/s1
InChIKey
JUNDJWOLDSCTFK-MTZCLOFQSA-N
Chemical Structure
2D Structure
2D structure of Trimegestone
CAS: 74513-62-5
CID: 68926
Formula: C22H30O3
MW: 342.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight342.5
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass342.21949481
Monoisotopic Mass342.21949481
Topological Polar Surface Area54.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity700
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19202096-01Trimegestone
sc-473999Trimegestone-d3
166943Trimegestone discontinued
HY-106827S1Trimegestone-13C, d3
AR-T05991-01Trimegestone Impurity 2
AR-T05990-01Trimegestone Impurity 1
AR-T05992-01Trimegestone-13C-d3
HY-154744STrimegestone sulfate pyridinium salt-13C, d3

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