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Amadinone

CAT: 0931-T25071-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T25071-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
30781-27-2
Target
Others
Related Pathways
Others
Bioactivity
Amadinone is an androgen antagonist.
Smiles
C[C@@]12[C@]([C@]3([C@@]([C@@]4(C(C(Cl)=C3)=CC(=O)CC4)[H])(CC1)[H])[H])(CC[C@@]2(C(C)=O)O)[H]
Molecular Formula
C20H25ClO3
Molecular Weight
348.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Amadinone

androgen antagonist

CAS Number30781-27-2
PubChem CID10315768
IUPAC Name(8R,9S,10R,13S,14S,17R)-17-acetyl-6-chloro-17-hydroxy-13-methyl-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Molecular FormulaC20H25ClO3
Molecular Weight348.9
XLogP2.5
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity678
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)CC[C@H]34)Cl)C)O
InChI
InChI=1S/C20H25ClO3/c1-11(22)20(24)8-6-17-15-10-18(21)16-9-12(23)3-4-13(16)14(15)5-7-19(17,20)2/h9-10,13-15,17,24H,3-8H2,1-2H3/t13-,14-,15-,17+,19+,20+/m1/s1
InChIKey
ANJGIFXUFSBZPX-WLCXVKOPSA-N
Chemical Structure
2D Structure
2D structure of Amadinone
CAS: 30781-27-2
CID: 10315768
Formula: C20H25ClO3
MW: 348.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight348.9
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass348.1492223
Monoisotopic Mass348.1492223
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity678
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

CatalogName
MBS5774809Amadinone
GTR19195666-01Amadinone acetate

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