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Cyproterone

CAT: 0926-FC20763-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0926-FC20763-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2098-66-0
Synonyms
6-Chloro-6-dehydro-17a-hydroxy-1,2a-methyleneprogesterone;6-Chloro-17-hydroxy-1a,2a-methylenepregna-4,6-diene-3,20-dione;1,2a-Me
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
Molecular Formula
C22H27ClO3
Molecular Weight
374.9 g/mol
Controlled
No

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

Alternative Products

CatalogName
007429Cyproterone
T1167-01Cyproterone acetate
HY-B1623S-01Cyproterone-d4
AR-C08811-01Cyproterone-d5

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