(1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate

Basic Information

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CAS Number

427-51-0

Molecular Formula

C24H29ClO4

Molecular Weight

416.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Basic Physical Properties

Physical State

Powder

Melting Point

206.0 to 211.0 deg-C

Boiling Point

525.9°C at 760 mmHg

Flash Point

177.6 oC

Refractive Index

1.4429 (estimate)

SMILES

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CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@@]21C)C(=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

LogP

4.607600000000004

Topological Polar Surface Area

60.440000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

903

Safety Information

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Hazard Statement

H351 Suspected of causing cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

Sensitiveness

对热敏感

Synonyms & References

English

cyproterone acetate
1,2-alpha-methylene-6-chloro-delta-(sup4,6)-pregnadiene-17-alpha-ol-3,20-dio
1,2-alpha-methylene-6-chloro-delta(sup6)-17-alpha-hydroxyprogesteroneacetat
1,2-alpha-methylene-6-chloro-pregna-4,6-diene-3,20-dione17-alpha-acetate
17-alpha-acetoxy-6-chloro-1-alpha,2-alpha-methylenepregna-4,6-diene-3,20-dio
20-dione,6-chloro-17-hydroxy-1-alpha,2-alpha-methylene-pregna-6-diene-3
6)-pregnadiene-17-alpha-ol-3,20-dione17-2-alpha-methylene-6-chloro-(sup4
6-chlor-delta(sup6)-1,2-alpha-methylen-17-alpha-hydroxyprogesteronacetat
6-chloro-1,2-alpha-methylene-17-alpha-hydroxy-delta(sup6)-progesteroneaceta
Cyproterone Acetate
Androcur
Cyprosterone acetate
Cyproteron acetate
Cyproterone 17-O-acetate
Cyproteron-R acetate
SH 714
6-Chloro-1β,2β-dihydro-17-hydroxy-3′H-cyclopropa(1,2)-pregna-1,4,6-triene-3,20-dione acetate
6-Chloro-1b,2b-dihydro-17-hydroxy-3'H-cyclopropa[1,2]pregna-1,4,6-triene-3,20-dione 17-acetate
Cyproterone acetate
(2aR,3aS,3bS,3cS,5aS,6R,8aS,8bR)-6-acetyl-10-chloro-3b,5a-dimethyl-2-oxo-2,2a,3,3a,3b,3c,4,5,5a,6,7,8,8a,8b-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-6-yl acetate

MDL Number

MFCD00864671

Customs Code

2937290090

FAQ

What is (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate (CAS: 427-51-0)?

This compound is a complex synthetic organic molecule with the molecular formula C19H28ClO3. It contains a cyclohydrocyclopenta[a]cyclopropa[g]phenanthren scaffold, featuring multiple stereocenters and functional groups such as acetyl and chloro substituents. Its structure and properties make it relevant in specialized chemical applications, though detailed physical characteristics may require specific data sources.

What are the main uses of (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate (CAS: 427-51-0)?

This compound is primarily used as an intermediate in pharmaceutical research and synthesis, particularly in the development of complex organic molecules. It may also find applications in specialty chemicals and industrial processes requiring precise structural modifications. Its role in drug discovery and chemical innovation is supported by its unique molecular framework and functional groups.

Is (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate (CAS: 427-51-0) safe?

Safety of this compound depends on proper handling. While it is generally considered low in toxicity under controlled conditions, direct contact or inhalation should be avoided. Protective measures include wearing gloves, goggles, and ensuring adequate ventilation. Always follow established safety guidelines and regulations when working with this substance, as its specific hazards may require further evaluation.

How should (1R,3aS,3bR,7aR,8aS,8bS,8cS,10aS)-1-Acetyl-5-chloro-8b,10a-dimethyl-7-oxo-1,2,3,3a,3b,7,7a,8,8a,8b,8c,9,10,10a-tetradecahydrocyclopenta[a]cyclopropa[g]phenanthren-1-yl acetate (CAS: 427-51-0) be stored?

Store this compound in a cool, dry, and dark location, away from moisture and heat. Use airtight containers to maintain stability and prevent contamination. Keep it in a well-ventilated area and avoid exposure to incompatible substances. Proper storage conditions are critical to preserving its chemical integrity and ensuring safety compliance.