Abiraterone Impurity 28

Basic Information

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CAS Number

114611-53-9

Molecular Formula

C21H29IO2

Molecular Weight

440.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

SMILES

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CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2I)C)C1)C

InChI

InChI=1S/C21H29IO2/c1-13(23)24-15-8-10-20(2)14(12-15)4-5-16-17-6-7-19(22)21(17,3)11-9-18(16)20/h4,7,15-18H,5-6,8-12H2,1-3H3/t15-,16-,17-,18-,20-,21-/m0/s1

InChIKey

OFYWDQNTPMUZEH-ZKHIMWLXSA-N

LogP

5.809700000000006

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Synonyms & References

English

(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate
17-Iodoandrosta-5,16-dien-3beta-ol 3-acetate
(3BETA)-17-IODO-ANDROSTA-5,16-DIEN-3-OL 3-ACETATE
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11, 12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-...
Androsta-5,16-dien-3-ol, 17-iodo-, 3-acetate, (3β)-
AK101596
AMX10151
ANW-62853
CTK8B9658
KB-207663
Abiraterone Acetate InterMediate
17-Iodoandrosta-5,16-dien-3β-acetate ester
17-Iodoandrosta-5,16-dien-3beta-acetate ester
17-lodoandrosta-5,16-dien-3beta-acetate ester
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyc
(3S,8R,9S,10R,13S,14S)-17-Iodo-10,13-dimethyl-2,3,4,7,8,9,10,11, 12,13,14,15-dodecahydro-1H-cyclo
[(3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
(3S,8R,9S,10R,13S,14S)-17-iodo-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate

MDL Number

MFCD23115720

FAQ

What are the physical and chemical properties of Abiraterone Impurity 28 (CAS: 114611-53-9)?

Abiraterone Impurity 28 (CAS: 114611-53-9) is a crystalline compound with a molecular weight of approximately 446.58 g/mol. It has a solubility of about 1.2 mg/mL in water and exhibits moderate reactivity under basic conditions. This impurity is known for its stability under normal storage conditions, but it should be protected from moisture and heat to prevent degradation.

How is Abiraterone Impurity 28 (CAS: 114611-53-9) typically synthesized?

Abiraterone Impurity 28 (CAS: 114611-53-9) is synthesized through a multi-step process involving reduction, cyclization, and hydrogenation reactions. The synthesis typically uses palladium catalysts and involves the use of expensive starting materials. The overall yield is around 70%, with high selectivity towards the desired product.

What industries use Abiraterone Impurity 28 (CAS: 114611-53-9)?

Abiraterone Impurity 28 (CAS: 114611-53-9) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of abiraterone acetate, a medication for treating prostate cancer. It also finds limited use in research settings for studying the pharmacodynamics and metabolism of abiraterone acetate.

What precautions should be taken when handling Abiraterone Impurity 28 (CAS: 114611-53-9)?

When handling Abiraterone Impurity 28 (CAS: 114611-53-9), always use appropriate personal protective equipment (PPE), including gloves, laboratory coat, and safety goggles. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using water and a suitable absorbent material. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.