Desmethylmifepristone

Base Information

Chemical Name:Desmethylmifepristone
CAS No.:104004-96-8
Molecular Formula:C28H33 N O2
Molecular Weight:415.576
Hs Code.:9999999999
European Community (EC) Number:835-959-1
UNII:K1P8OGJ86J
DSSTox Substance ID:DTXSID60146216
Nikkaji Number:J386.665C
Wikipedia:Metapristone
Wikidata:Q27281827
Pharos Ligand ID:3TLVSNCS7SDN
Metabolomics Workbench ID:144748
ChEMBL ID:CHEMBL1608
Mol file:104004-96-8.mol

Synonyms:Ru 42633;RU-42633

Suppliers and Price of Desmethylmifepristone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
N-DemethylMifepristone
1mg
$ 135.00

Medical Isotopes, Inc.
N-Desmethylmifepristone
5 mg
$ 2400.00

Medical Isotopes, Inc.
N-DesmethylMifepristone-d3
5 mg
$ 1900.00

Medical Isotopes, Inc.
N-DesmethylMifepristone-d3
1 mg
$ 715.00

Medical Isotopes, Inc.
N-Desmethylmifepristone
1 mg
$ 715.00

Biosynth Carbosynth
N-Demethyl mifepristone
25 mg
$ 3250.00

Biosynth Carbosynth
N-Demethyl mifepristone
2 mg
$ 400.00

Biosynth Carbosynth
N-Demethyl mifepristone
1 mg
$ 240.00

Biosynth Carbosynth
N-Demethyl mifepristone
10 mg
$ 1600.00

Biosynth Carbosynth
N-Demethyl mifepristone
5 mg
$ 900.00

Total 22 raw suppliers

Chemical Property of Desmethylmifepristone

Chemical Property:

Vapor Pressure:1.11E-16mmHg at 25°C
Melting Point:83-86°C
Boiling Point:628.9°Cat760mmHg
PKA:12.94±0.60(Predicted)
Flash Point:334.1°C
PSA：49.33000
Density:1.19g/cm³
LogP:5.45520
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3.6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:415.251129295
Heavy Atom Count:31
Complexity:893

Purity/Quality:

99%, ^*data from raw suppliers

N-DemethylMifepristone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC#CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)NC)C)O
Isomeric SMILES:CC#C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)NC)C)O
Uses A metabolite of Mifepristone (M343975).

Technology Process of Desmethylmifepristone

There total 6 articles about Desmethylmifepristone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

: 84371-65-3
mifepristone

: 104004-96-8
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-(methylamino)phenyl)-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

Guidance literature:: With lithium acetate; iodine; In tetrahydrofuran; methanol; at 0 - 20 ℃; for 24h; Reagent/catalyst; Temperature; Solvent;
DOI:10.1039/c5ra26557f

Reference yield: 86.0%

: 639520-83-5
N-(4-((8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-3-oxo-17-(prop-1-yn-1-yl)-2,3,6,7,8,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-11-yl)phenyl)-N-methylformamide

: 104004-96-8
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-(methylamino)phenyl)-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

Guidance literature:: With hydrogenchloride; In methanol; at 20 ℃; for 40h;
DOI:10.1021/jm0400045

Reference yield: 74.0%

: 639520-75-5
tert-butyl 4-((5R,11R,13S,17S)-5,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-yl)phenyl(methyl)carbamate

: 104004-96-8
(8S,11R,13S,14S,17S)-17-hydroxy-13-methyl-11-(4-(methylamino)phenyl)-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

Guidance literature:: tert-butyl 4-((5R,11R,13S,17S)-5,17-dihydroxy-13-methyl-17-prop-1-ynyl-1,2,4,5,6,7,8,11,12,13,14,15,16,17-tetradecahydrospiro[cyclopenta[a]phenanthrene-3,2'-[1,3]dioxolan]-11-yl)phenyl(methyl)carbamate; With toluene-4-sulfonic acid; In tetrahydrofuran; dichloromethane; at 20 ℃; for 3h;

With sodium hydrogencarbonate; In tetrahydrofuran; dichloromethane; water; at 25 ℃;