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Cyproterone acetate 500mg

CAT: 0628-A11409-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A11409-500Size:500 mg
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CAS Number
427-51-0

Chemical Information

Cyproterone Acetate

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 a geroprotector, an androgen antagonist and a progestin. It is a 20-oxo steroid, an acetate ester, a steroid ester, a 3-oxo-Delta(4) steroid and a chlorinated steroid. It is functionally related to a cyproterone.

CAS Number427-51-0
PubChem CID9880
IUPAC Name[(1S,2S,3S,5R,11R,12S,15R,16S)-15-acetyl-9-chloro-2,16-dimethyl-6-oxo-15-pentacyclo[9.7.0.02,8.03,5.012,16]octadeca-7,9-dienyl] acetate
Molecular FormulaC24H29ClO4
Molecular Weight416.9
XLogP3.6
Topological Polar Surface Area60.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity903
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)OC(=O)C
InChI
InChI=1S/C24H29ClO4/c1-12(26)24(29-13(2)27)8-6-16-14-10-20(25)19-11-21(28)15-9-18(15)23(19,4)17(14)5-7-22(16,24)3/h10-11,14-18H,5-9H2,1-4H3/t14-,15+,16-,17-,18-,22-,23-,24-/m0/s1
InChIKey
UWFYSQMTEOIJJG-FDTZYFLXSA-N
Chemical Structure
2D Structure
2D structure of Cyproterone Acetate
CAS: 427-51-0
CID: 9880
Formula: C24H29ClO4
MW: 416.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.9
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass416.1754371
Monoisotopic Mass416.1754371
Topological Polar Surface Area60.4 Ų
Heavy Atom Count29
Formal Charge0
Complexity903
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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