(11beta)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate

Basic Information

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CAS Number

126784-99-4

Molecular Formula

C30H37NO4

Molecular Weight

475.63 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 Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

No data available

Melting Point

184.0 to 188.0 deg-C

Boiling Point

640.1°C at 760 mmHg

Flash Point

340.9±31.5 °C

Refractive Index

1.593

Specific Rotation

165 to +185°, (c=1 in dichloromethane)

SMILES

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CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C

InChI

InChI=1S/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1

InChIKey

OOLLAFOLCSJHRE-ZHAKMVSLSA-N

LogP

5.543000000000006

Topological Polar Surface Area

63.68 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

984

Safety Information

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GHS Hazard Pictograms

H361

Hazard Statement

H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

17beta-acetyl-11beta-(4-(dimethylamino)phenyl)-3-oxoestra-4,9-dien-17alpha-yl acetate
DTXCID9077785
17.ALPHA.-ACETOXY-11.BETA.-(4-DIMETHYLAMINOPHENYL)-19-NORPREGNA-4,9-DIEN-3,20-DIONE
Ulipristal acetate, >=98% (HPLC)
HY-16508
CDB 2914
YF7V70N02B
ULIPRISTAL ACETATE [ORANGE BOOK]
126784-99-4
ULIPRISTAL ACETATE (MART.)
ULIPRISTAL ACETATE [WHO-DD]
U0102
(11beta)-17-(Acetyloxy)-11-(4-(dimethylamino)phenyl)-19-norpregna-4,9-diene-3,20-dione
ULIPRISTAL ACETATE [JAN]
CBD 2914
CCG-269500
Esmya
(1R,3aS,3bS,10R,11aS)-1-acetyl-10-[4-(dimethylamino)phenyl]-11a-methyl-7-oxo-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl acetate
NS00002655
(8S,11R,13S,14S,17R)-17-acetyl-11-(4-(dimethylamino)phenyl)-13-methyl-3-oxo-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl acetate
Q975059
Z2185283535
[(8s,11r,13s,14s,17r)-17-Acetyl-11-[4-(Dimethylamino)phenyl]-13-Methyl-3-Oxo-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]phenanthren-17-Yl] Acetate
(11beta,17alpha)-17-acetyl-11-(4-(dimethylamino)phenyl)-3-oxoestra-4,9-dien-17-yl acetate
EllaOne
GTPL7460
17beta-acetyl-11beta-[4-(dimethylamino)phenyl]-3-oxoestra-4,9-dien-17alpha-yl acetate
NCGC00378913-02
Hrp-2000
AB01566874_01
Ella (TN)

MDL Number

MFCD00899035

FAQ

What is (11beta)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate (CAS: 126784-99-4)?

This compound is a synthetic steroid derivative with the chemical formula C23H33NO5. It exhibits structural features of pregnenolone, including two ketone groups and a dimethylamino benzene ring. Its molecular weight is approximately 387.52 g/mol, and it is typically a white to off-white crystalline solid with solubility in organic solvents. The compound is known for its potential biological activity and is used in various scientific applications.

What are the main uses of (11beta)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate (CAS: 126784-99-4)?

This compound is primarily used in pharmaceutical research as a potential therapeutic agent. It may be studied for its effects on hormonal pathways and is also utilized in biochemical assays and as a synthetic intermediate in drug development. Additionally, it finds applications in analytical chemistry for structure validation and in academic studies to explore its pharmacological properties.

Is (11beta)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate (CAS: 126784-99-4) safe?

Safety data for this compound is limited, but it is generally considered to have low acute toxicity when handled properly. Precautions include wearing appropriate personal protective equipment (PPE) such as gloves and goggles. Due to its chemical structure, it may require careful handling in laboratory settings to avoid skin contact or inhalation. Always follow safety guidelines and regulatory standards for chemical use.

How should (11beta)-11-[4-(Dimethylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate (CAS: 126784-99-4) be stored?

This compound should be stored in a cool, dry, and dark place at a temperature between 2°C to 8°C. It is sensitive to moisture and light, so it should be kept in airtight containers and protected from exposure. Proper storage helps maintain its chemical stability and prevents degradation over time.