(8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (non-preferred name)

Basic Information

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CAS Number

84371-65-3

Molecular Formula

C29H35NO2

Molecular Weight

30.07 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 Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

192.0 to 198.0 deg-C

Boiling Point

628.6°C at 760 mmHg

Density

1.0731 (rough estimate)

Flash Point

110 °C

Solubility

Soluble in water (partly), DMF (~30 mg/ml), ethanol (50 mg/ml), methanol, and DMSO (86 mg/ml at 25 °C).

Refractive Index

1.6290 (estimate)

Specific Rotation

+138.0° to +144.0° (c=0.5, CHCl3)

SMILES

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CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@@]21C)c5ccc(cc5)N(C)C

InChI

InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1

InChIKey

VKHAHZOOUSRJNA-GCNJZUOMSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

921

Safety Information

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Hazard Statement

Sensitiveness

对热敏感

Synonyms & References

English

mifepristone
Mifepriston Dianhydride
4,9-dien-3-one r38486 ra-4,9-dien-3-one ru486-6 Mifepriston Dianhydride
Mifepristone Solution
11β-(4-Dimethyl-amino)-phenyl-17β-hydroxy-17-(1-propynyl)-estra-4,9-dien-3-one
RU 38486
RU 486
RU-38486
RU-486
11β-(4-Dimethylamino)phenyl-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
11β-[4-(Dimethylamino)phenyl]-17β-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
11b-[p-(Dimethylamino)phenyl]-17b-hydroxy-17-(1-propynyl)estra-4,9-dien-3-one
Mifegyne
Mifeprex
Corlux
Korlym
RU486
Mifepriston
Mifepristonum [Latin]
Mifepristona [Spanish]
Mifepristone [USAN:INN:BAN]
R 38486
RU 486-6
MLS000069785
320T6RNW1F
Mifepristone, 98%
SMR00005848
Mifepristone
(8S,11R,13S,14S,17S)-11-(4-(dimethylamino)phenyl)-17-hydroxy-13-methyl-17-(prop-1-yn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one

MDL Number

MFCD00867226

FAQ

What is (8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 84371-65-3)?

This compound is a complex steroid derivative with the chemical formula C22H33NO2. It features a cyclopenta[a]phenanthrene ring system, multiple hydroxyl and methyl groups, and a dimethylaminophenyl substituent. The stereochemistry (8S,11R,13S,14S,17S) indicates specific spatial arrangements of atoms, while the propynyl group contributes to its structural uniqueness. CAS number 84371-65-3 identifies this particular isomer in chemical databases.

What are the main uses of (8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 84371-65-3)?

This compound is primarily used in pharmaceutical research as an intermediate for drug development, particularly in the synthesis of bioactive molecules. Its unique structure, including the dimethylamino and propynyl groups, makes it valuable for creating derivatives with potential therapeutic applications. It is also utilized in chemical synthesis and may be relevant in specialized industrial or academic settings. CAS number 84371-65-3 ensures accurate identification for research and regulatory purposes.

Is (8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 84371-65-3) safe?

Safety of this compound depends on proper handling and exposure conditions. As a synthetic organic compound, it may have potential toxicity, necessitating adherence to safety standards such as using personal protective equipment (PPE) and ensuring adequate ventilation. Precautions include avoiding contact with skin, eyes, and inhalation, while storage should prevent exposure to incompatible substances. Always consult safety data sheets (SDS) for detailed guidelines. CAS number 84371-65-3 is critical for tracking safety information.

How should (8S,11R,13S,14S,17S)-11-[4-(Dimethylamino)phenyl]-17-hydroxy-13-methyl-17-(1-propyn-1-yl)-1,2,6,7,8,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one (CAS: 84371-65-3) be stored?

This compound should be stored in a sealed, airtight container at controlled room temperature (15-25°C) to maintain stability. Protect from moisture, light, and heat exposure to prevent degradation. Store in a cool, dry area away from incompatible materials. For long-term storage, refrigeration (2-8°C) may be recommended to preserve its integrity. CAS number 84371-65-3 ensures proper identification for storage protocols.