(11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione

Basic Information

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CAS Number

159811-51-5

Molecular Formula

C28H35NO3

Molecular Weight

433.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1

InChIKey

HKDLNTKNLJPAIY-WKWWZUSTSA-N

LogP

4.972200000000005

Topological Polar Surface Area

57.61 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

877

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

RTI-3021-022
Ulipristal [USAN:INN:BAN]
ULIPRISTAL ACETATE ULIPRISTAL [MI]
6J5J15Q2X8
Ulipristal [INN]
EN300-20385172
(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
AKOS025401807
VA 2914
19-Norpregna-4,9-diene-3,20-dione, 11-[4-(dimethylamino)phenyl]-17-hydroxy-, (11beta)-
ULIPRISTAL [EMA EPAR]
ULIPRISTAL [USAN]
CHEBI:177631
BS-15555
H12074
ULIPRISTAL [VANDF]
NS00072051
HKDLNTKNLJPAIY-WKWWZUSTSA-N
159811-51-5
A906751
UNII-6J5J15Q2X8
Ulipristal acetate ulipristal
CS-0003658
ellae
11beta-(4-(Dimethylamino)phenyl)-17-hydroxy-19-norpregna-4,9-diene-3,20-dione
ULIPRISTAL [WHO-DD]
SCHEMBL545159
CHEMBL2103846
AC-25786
G03XB02
s3081

MDL Number

MFCD19443756

FAQ

What are the physical and chemical properties of (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

(11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione is a crystalline compound with a molecular weight of approximately 422.43 g/mol. It is slightly soluble in ethanol and acetone but insoluble in water. This compound is known for its reactivity in forming esters and amides. It is generally stable under normal conditions but may degrade under strong acidic or basic conditions.

How is (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5) typically synthesized?

(11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione is synthesized via a multi-step process involving the introduction of the amino group and hydroxylation. Commonly, this involves the use of dimethylamine, phenyl derivatives, and palladium catalysts. The synthesis typically yields over 70% purity with good regioselectivity and stereoselectivity.

What industries use (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

(11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione is primarily used in the pharmaceutical industry for its potential as a prodrug in hormone therapy. It is also explored in research for its applications in synthetic chemistry, particularly in the development of new drug candidates and in the production of certain APIs.

What precautions should be taken when handling (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

Precautions when handling (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione include the use of personal protective equipment (PPE) such as gloves and goggles. It should be handled in a fume hood to minimize exposure. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly rinsed with water. Users should refer to the Safety Data Sheet (SDS) for detailed information on handling and disposal.

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Compound Q&A

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(11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione | CAS No. 159811-51-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

How is (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5) typically synthesized?

What industries use (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

What precautions should be taken when handling (11beta)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-19-norpregna-4,9-diene-3,20-dione (CAS: 159811-51-5)?

Related Compounds

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