Lilopristone | CAS No. 97747-88-1

Lilopristone

Basic Information

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CAS Number

97747-88-1

Molecular Formula

C29H37NO3

Molecular Weight

447.62 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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CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(C=CCO)O)C5=CC=C(C=C5)N(C)C

InChI

InChI=1S/C29H37NO3/c1-28-18-25(19-5-8-21(9-6-19)30(2)3)27-23-12-10-22(32)17-20(23)7-11-24(27)26(28)13-15-29(28,33)14-4-16-31/h4-6,8-9,14,17,24-26,31,33H,7,10-13,15-16,18H2,1-3H3/b14-4-/t24-,25+,26-,28-,29-/m0/s1

InChIKey

RCOWGILQXUPXEW-FUSOFXSQSA-N

LogP

4.9317000000000055

Topological Polar Surface Area

60.77 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

877

Synonyms & References

English

Lilopristone
Ligustrazine Phosphate
Chuanxiongzine hydrochloride
LigustrazineHCl
(11β,17β)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-17-[(1Z)-3-hydroxy-1-propen-1-yl]estra-4,9-dien-3-one (ACI)
Estra-4,9-dien-3-one, 11-[4-(dimethylamino)phenyl]-17-hydroxy-17-[(1Z)-3-hydroxy-1-propenyl]-, (11β,17β)- (9CI)
ZK 98734
UNII-3GL26H7N6T
ZK98734
DTXSID801034575
AKOS040744683
(5R,7R)-5-(4-Dimethylamino-phenyl)-7-hydroxy-7-(3-hydroxy-propyl)-6a-methyl-4,5,6,6a,7,8,9,10,10a,10b,11,12-dodecahydro-3H-chrysen-2-one
CCRIS 6529
Lilopristonum [Latin]
SCHEMBL940130
Q27257184
Lilopristonum (Latin)
Lilopristona [Spanish]
CHEBI:231211
BRN 5663600
Lilopristona
Estra-4,9-dien-3-one, 11-(4-(dimethylamino)phenyl)-17-hydroxy-17-(3-hydroxy-1-propenyl)-, (11-beta,17-beta,17(Z))-
11beta-(p-(Dimethylamino)phenyl)-17beta-hydroxy-17-((Z)-3-hydroxypropenyl)estra-4,9-dien-3-one
11.BETA.-(P-(DIMETHYLAMINO)PHENYL)-17.BETA.-HYDROXY-17-((Z)-3-HYDROXYPROPENYL)ESTRA-4,9-DIEN-3-ONE
Lilopristonum
ZK 98.734
3GL26H7N6T
ZK-98734
97747-88-1
(8S,11R,13S,14S,17R)-11-(4-(dimethylamino)phenyl)-17-hydroxy-17-((Z)-3-hydroxyprop-1-en-1-yl)-13-methyl-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one
(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-17-[(Z)-3-hydroxyprop-1-enyl]-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

MDL Number

MFCD00868365

FAQ

What regulatory guidelines apply to lilopristone (CAS: 97747-88-1)?

Lilopristone (CAS: 97747-88-1) falls under the regulatory scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) and is subject to the European Union’s Registration, Evaluation, Authorization and Restriction of Chemicals (REACH) regulation. Additionally, it is regulated by the U.S. Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for its intended use. Manufacturers and importers must ensure compliance with specific guidelines for classification, labeling, and documentation.

Are there alternatives to lilopristone (CAS: 97747-88-1) in synthesis?

Several alternatives to lilopristone (CAS: 97747-88-1) exist in synthesis, including analogs such as ciprofloxacin and isomers like norfloxacin. Substitute reagents like fluoroquinolones and other similar compounds are often used as alternatives. These alternatives offer similar pharmacological properties and can be employed based on specific research or industrial requirements.

What is the market or research trend for lilopristone (CAS: 97747-88-1)?

The market and research trends for lilopristone (CAS: 97747-88-1) are focused on its potential applications in managing certain medical conditions. Research is ongoing to explore its efficacy and safety in clinical trials. Market trends indicate increasing interest due to its unique pharmacological profile, though its commercialization is still in the nascent stages. Continued investigation into its mechanism of action and potential therapeutic uses will shape future market dynamics.

How should waste containing lilopristone (CAS: 97747-88-1) be handled?

Waste containing lilopristone (CAS: 97747-88-1) should be managed according to waste handling guidelines. It should be collected in appropriate containers, labeled with the chemical name and CAS number, and stored in a secure area. Professional waste disposal services should be used for its incineration or other suitable methods to ensure environmental safety. Environmental protection measures, such as neutralization and proper containment, are critical to prevent any potential environmental impact.