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427-51-0

427-51-0 structural image
Product Name: Cyproterone acetate
Formula: C24H29ClO4
Synonyms: 6-Chloro-1β,2β-dihydro-17-hydroxy-3′H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate;Cyproterone acetate
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CHEMICAL AND PHYSICAL PROPERTIES

Color/Form Crystals from diisopropyl ether
Melting Point 200-201
Solubility Very soluble in dichloromethane and acetone; soluble in methanol; sparingly soluble in ethanol.
Stability/Shelf Life Stable under recommended storage conditions.
Optical Rotation Specific rotation = +152 deg to +157 deg at 20 °C
Decomposition When heated to decomposition it emits toxic fumes of /hydrogen chloride/.
Collision Cross Section 199.4 Ų [M+H]+ [CCS Type: TW, Method: calibrated with polyalanine and drug standards]
Other Experimental Properties Crystals from acetate, mp 237.5-240 °C /Cyproterone/

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07

Health Hazard
GHS08
GHS Hazard Statements H351:Carcinogenicity
Precautionary Statement Codes P202:Do not handle until all safety precautions have been read and understood.
P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P308+P313:IF exposed or concerned: Get medical advice/attention.

COMPUTED DESCRIPTORS

Molecular Weight 416.9 g/mol
XLogP3 3.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 3
Exact Mass 416.1754371 g/mol
Monoisotopic Mass 416.1754371 g/mol
Topological Polar Surface Area 60.4 Ų
Heavy Atom Count 29
Formal Charge 0
Complexity 903
Isotope Atom Count 0
Defined Atom Stereocenter Count 8
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

Cyproterone acetate is a steroid ester resulting from the formal condensation of the carboxy group of acetic acid with the 17-hydroxy group of cyproterone. It is an antiandrogenic drug which has recently been recognized to promote the occurrence and growth of intracranial meningiomas. It has a role as an androgen antagonist, a progestin and a geroprotector. It is a 20-oxo steroid, a 3-oxo-Delta(4) steroid, a chlorinated steroid, a steroid ester and an acetate ester. It is functionally related to a cyproterone.

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