Login

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on e | CAS No. 3093-35-4

(4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on e

Basic Information

Chemical_Structure_Of
View in Editor

CAS Number

3093-35-4

Molecular Formula

C24H32ClFO5

Molecular Weight

454.97 g/mol

AD

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids
Basic Chemical Raw Materials Organic Chemicals Ketones
Basic Chemical Raw Materials Organic Chemicals Ethers
Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds
Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates
Fine Chemicals Surfactants Anionic Surfactants
Fine Chemicals Specialty Chemicals UV Stabilizers
Polymers and Plastics Thermoplastics Polyolefins
Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

264-265° (dec)

Specific Rotation

D25 +155° (CHCl3)

SMILES

View in Editor

CC1(OC2CC3C4CCC5=CC(=O)CCC5(C4(C(CC3(C2(O1)C(=O)CCl)C)O)F)C)C

InChI

InChI=1S/C24H32ClFO5/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,26)17(28)11-22(16,4)24(19,31-20)18(29)12-25/h9,15-17,19,28H,5-8,10-12H2,1-4H3/t15-,16-,17-,19+,21-,22-,23-,24+/m0/s1

InChIKey

MUQNGPZZQDCDFT-JNQJZLCISA-N

LogP

3.889300000000003

Topological Polar Surface Area

72.83000000000001 Ų

Hydrogen Bond Donor/Acceptor

1 / 5

Complexity

887

Safety Information

View Safety Information

GHS Hazard Pictograms

H361H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Toxicity

LD50 i.p. in mice: 150 mg/kg (Millonig, Yiakas)

Synonyms & References

English

  • (4R,8S)-8-(2-Chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
  • HALCINONIDE [MART.]
  • Halcort
  • Halcinonid
  • HY-B0877
  • HALCINONIDE [USAN]
  • EINECS 221-439-6
  • NS00008730
  • NSC-758413
  • Tox21_110530
  • Tox21_110530_1
  • Halcinonida [INN-Spanish]
  • HALCINONIDE [ORANGE BOOK]
  • Halciderm
  • HALCINONIDE [INN]
  • HALCINONIDE [USP MONOGRAPH]
  • NCGC00179475-03
  • N6-(Trifluoroacetyl)-L-lysyl-L-proline
  • 21-Chloro-9-fluoro-11beta,16alpha,17-trihydroxypregn-4-ene-3,20-dione cyclic 16,17-acetal with acetone
  • SQ-18,566
  • 5-19-06-00301 (Beilstein Handbook Reference)
  • Halcimat
  • Q-201180
  • 3093-35-4
  • SPBio_002610
  • HALCINONIDE [USP-RS]
  • SO 18566
  • DTXCID4025375
  • (1S,2S,4R,8S,9S,11S,12R,13S)-8-(2-chloroacetyl)-12-fluoro-11-hydroxy-6,6,9,13-tetramethyl-5,7-dioxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icos-17-en-16-one
  • Halcinonida (INN-Spanish)
  • Halcinonida

MDL Number

MFCD00866006

FAQ

What is (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on (CAS: 3093-35-4)?
This is a complex organic compound with the CAS number 3093-35-4. It features a chloroacetyl group, a fluoro substituent, and a hydroxy functional group within a highly branched, saturated ring system. The compound is classified as a naphthoindeno[1,2-d][1,3]dioxol derivative, with specific stereochemistry at multiple chiral centers. It is typically used in specialized chemical applications due to its unique molecular structure.

What are the main uses of (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on (CAS: 3093-35-4)?
This compound is primarily used in pharmaceutical research as a potential intermediate for drug development, particularly in the synthesis of bioactive molecules. It may also find applications in organic chemistry for structural studies or as a component in specialized chemical formulations. Due to its complexity, it is less commonly used in industrial or food-related contexts but is valuable in academic and research settings for its unique stereochemistry and functional groups.

Is (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on (CAS: 3093-35-4) safe?
Safety data for this compound is limited, but as a complex organic chemical, it should be handled with care. Precautions include wearing protective gloves, goggles, and a lab coat, and working in a well-ventilated area. It is advisable to follow standard safety protocols for chemical handling and consult regulatory guidelines (e.g., OSHA, EPA) to ensure proper use and minimize exposure risks.

How should (4aS,4bR,5S,6aS,6bS,9aR,10aS,10bS)-6b-(Chloroacetyl)-4b-fluoro-5-hydroxy-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-on (CAS: 3093-35-4) be stored?
This compound should be stored in a cool, dry, and dark place, ideally at 2-8°C, to maintain stability. It requires airtight containers to prevent moisture ingress and contamination. Avoid exposure to light and air, and ensure storage away from incompatible materials. Proper labeling and adherence to hazardous material storage guidelines are essential for safety.

Related Compounds

You might also like

Compound Q&A

What is 6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one (CAS: 21889-89-4)?

6-Methyl-7-oxabicyclo[4.1.0]heptan-2-one is a cyclic ketone with a molecular for...

21889-89-46-Methyl-7-oxabicycl...
Compound Q&A

What is 4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid (CAS: 906353-00-2)?

4-[(6-Methyl-2-pyrazinyl)oxy]benzoic acid is a chemical compound with the CAS nu...

906353-00-24-[(6-Methyl-2-pyraz...
Compound Q&A

What is 2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8)?

2-(2-Pyridinyl)-1,3-propanediol (CAS: 49745-42-8) is a colorless to slightly yel...

49745-42-82-(2-Pyridinyl)-1,3-...
Compound Q&A

What is 2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile (CAS: 24783-42-4)?

2-(6-Chloro-2-pyridinyl)-2-phenylacetonitrile is an organic compound with the CA...

24783-42-42-(6-Chloro-2-pyridi...
Compound Q&A

What is 2-Oxopropanamide (CAS: 631-66-3)?

2-Oxopropanamide, also known as 2-aminoacrylic acid, is a chemical compound with...

631-66-32-Oxopropanamide
Compound Q&A

What is 2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CAS: 1289040-88-5)?

2-Methyl-2-propanyl 4-(5-bromo-6-methyl-2-pyridinyl)-1-piperazinecarboxylate (CA...

1289040-88-52-Methyl-2-propanyl ...
Compound Q&A

What is NAMPT inhibitor-linker 1 (CAS: 2241019-57-6)?

NAMPT inhibitor-linker 1 (CAS: 2241019-57-6) is a chemical compound designed as ...

2241019-57-6NAMPT inhibitor-link...
Compound Q&A

What is (2-(2,2,2-Trifluoroacetyl)pyridin-4-yl)boronic acid (CAS: 1310404-58-0)?

It is a chemical compound with the structure (2-(2,2,2-Trifluoroacetyl)pyridin-4...

1310404-58-0(2-(2,2,2-Trifluoroa...
Compound Q&A

What is 1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one (CAS: 794568-90-4)?

1-(2-Chlorophenyl)-6-(3,3,3-trifluoro-2-methylpropyl)-1,5-dihydro-4H-pyrazolo[3,...

794568-90-41-(2-Chlorophenyl)-6...
Compound Q&A

What is Vinyl(chloromethyl)dimethoxysilane (CAS: 1314981-48-0)?

Vinyl(chloromethyl)dimethoxysilane is an organosilicon compound with the molecul...

1314981-48-0Vinyl(chloromethyl)d...

Supplier Information

Beijing Solabe Technology Co., Ltd.

CAS Number: 3093-35-4

View Details

WuHanChangDaShun Technology Co Ltd

CAS Number: 3093-35-4

View Details

Hubei Longfei Biotechnology Co., Ltd.

CAS Number: 3093-35-4

View Details

AnZhouShiQuanAoHuaGongChanPin Co Ltd

CAS Number: 3093-35-4

View Details

Hubei Qingbei Yunchen Medicine Technology Co., Ltd.

CAS Number: 3093-35-4

View Details

HuBei Province ChuaShun Bio-Co., Ltd

CAS Number: 3093-35-4

View Details

ShanXiShengJiaoChengXianJingXinHuaGongAn

CAS Number: 3093-35-4

View Details

Shanghai Mofu Medicine Technology Co., Ltd.

CAS Number: 3093-35-4

View Details

Tianjin Bram Technology Co., Ltd.

CAS Number: 3093-35-4

View Details

SiChuanWeiKeJi Biotechnology Co Ltd

CAS Number: 3093-35-4

View Details

ShanDongTaiHuaShengWuKeJiYouXianGongSi LTD

CAS Number: 3093-35-4

View Details

WuHanZeNuo Biotechnology Co Ltd

CAS Number: 3093-35-4

View Details

ShangHaiBaiJiYiYao Technology Co Ltd

CAS Number: 3093-35-4

View Details

Shanghai Hansi Chemical Co., Ltd.

CAS Number: 3093-35-4

View Details

Hubei Shixing Chemical Co., Ltd.

CAS Number: 3093-35-4

View Details

This website uses cookies to ensure basic functionality and enhance your experience. We use:

  • Essential cookies: Required for core site features (authentication, security). These cannot be disabled.
  • Analytics cookies: Help us understand site usage to improve our service.

You can change your preferences at any time in our Privacy Settings. See our Privacy Policy for more details.