(5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol | CAS No. 84371-64-2

(5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol

Basic Information

CAS Number

84371-64-2

Molecular Formula

C31H41NO4

Molecular Weight

30.07 g/mol

AD

Basic Physical Properties

Boiling Point

664.475 °C at 760 mmHg

Density

1.24

Flash Point

355.662 °C

Refractive Index

1.627

CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC5(C[C@@]4(CC[C@@H]23)O)OCCO5)c6ccc(cc6)N(C)C)C)O

InChI

InChI=1S/C31H41NO4/c1-5-13-30(34)15-11-25-23-10-14-29(33)20-31(35-17-18-36-31)16-12-26(29)27(23)24(19-28(25,30)2)21-6-8-22(9-7-21)32(3)4/h6-9,23-25,33-34H,10-12,14-20H2,1-4H3/t23-,24+,25-,28-,29+,30-/m0/s1

InChIKey

RIJGHAHZKTWZNK-NJPSTFMDSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

977

Synonyms & References

English

  • Estr-9-en-3-one, 11-[4-(dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-cyclic 1,2-ethanediyl acetal,(5a,11b,17b)-
  • (5R,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1 -propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyc lopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol
  • (5R,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1 -propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyc lopenta[a]phenanthrene-3,2\'-[1,3]dioxolane]-5,17(4H)-diol
  • 4,5-Dihydro-5α-hydroxy-Mifepristone 3-ethylene Ketal
  • Mifepristone related compound
  • (5alpha,11beta,17beta)-11-[4-(Dimethylamino)phenyl]-5,17-dihydroxy-17-(1-propynyl)-estr-9-en-3-one cyclic 1,2-ethanediyl acetal
  • (5R,8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol

MDL Number

MFCD09952486

FAQ

What regulatory guidelines apply to (5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol (CAS: 84371-64-2)?

This compound must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for classification and labeling. For European Union (EU) manufacturers, distributors, and importers, REACH regulations also apply, requiring registration and authorization if it falls under the scope. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may require specific handling and reporting procedures, especially if used in pharmaceutical, cosmetic, or industrial applications.

Are there alternatives to (5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol (CAS: 84371-64-2) in synthesis?

For synthesis, alternatives such as (5E,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol or related analogs can be considered. Additionally, isomers like (5Z,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol may serve as viable substitutes.

What is the market or research trend for (5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol (CAS: 84371-64-2)?

Research trends indicate an increasing interest in this compound for its potential in pharmaceuticals and cosmetics. Market demand is rising due to its unique properties. Emerging research focuses on its biological activity and its application in drug delivery systems. Economic trends show a steady growth, driven by growing demand and technological advancements.

How should waste containing (5R,8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolane]-5,17(4H)-diol (CAS: 84371-64-2) be handled?

Waste containing this compound should be collected in appropriate containers and stored under controlled conditions to prevent contamination. For disposal, it is recommended to use professional waste disposal services that comply with local regulations. Incineration is a common method, provided that it is conducted in an environmentally friendly manner. Proper environmental protection measures, such as proper venting and scrubbing systems, should be in place to minimize emissions and protect the environment.

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