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Cyproterone

CAT: 0013-GTR19201942-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201942-01Size:25 mg
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Description
Cyproterone is an anti-androgen compound used in research to study androgen receptor signaling. Its applications include models of hirsutism, acne, and prostate cancer, with utility in both in vitro binding assays and in vivo hormonal studies.
CAS Number
2098-66-0
Field of Research
Metabolism Research
Smiles
CC (=O) [C@@]1 (O) CCC2C3C=C (Cl) C4=CC (=O) [C@@H]5C[C@@H]5C4 (C) C3CCC12C
Molecular Formula
C22H27ClO3
Molecular Weight
374.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyproterone

Cyproterone is a tertiary alpha-hydroxy ketone, a 17alpha-hydroxy steroid, a 20-oxo steroid, a 3-oxo-Delta(4) steroid and a chlorinated steroid. It has a role as an androgen antagonist. It derives from a hydride of a pregnane.

CAS Number2098-66-0
PubChem CID5284537
IUPAC Name(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-15-hydroxy-2,16-dimethylpentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dien-6-one
Molecular FormulaC22H27ClO3
Molecular Weight374.9
XLogP3.1
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count26
Formal Charge0
Complexity797
SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)[C@@H]5C[C@@H]5[C@]34C)Cl)C)O
InChI
InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12-,13+,14-,15-,16-,20-,21-,22-/m0/s1
InChIKey
DUSHUSLJJMDGTE-ZJPMUUANSA-N
Chemical Structure
2D Structure
2D structure of Cyproterone
CAS: 2098-66-0
CID: 5284537
Formula: C22H27ClO3
MW: 374.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.9
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass374.1648724
Monoisotopic Mass374.1648724
Topological Polar Surface Area54.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity797
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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268888-01Cyproterone
TRC-C989100-250MGCyproterone Acetate
HY-B1623S-01Cyproterone-d4
AR-C08811-01Cyproterone-d5

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