Dienogest Impurity G

Base Information Edit

Chemical Name:Dienogest Impurity G
CAS No.:86153-38-0
Molecular Formula:C₂₀H₂₃NO₂
Molecular Weight:309.408
Hs Code.:
UNII:7T4537YE2X
Nikkaji Number:J552.985I
Mol file:86153-38-0.mol

Synonyms:Dienogest Impurity G;86153-38-0;STS-825;Dienogest metabolite (sts 825);STS 825;7T4537YE2X;UNII-7T4537YE2X;2-((8S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta(a)phenanthren-17-yl)acetonitrile;2-[(8S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile;17alpha-Cyanomethylestra-1,3,5(10),9(11)-tetraene-3,17beta-diol;19-Norpregna-1,3,5(10),9(11)-tetraene-21-nitrile, 3,17-dihydroxy-, (17alpha)-;CS-0166043;Dienogest EP Impurity G (Dienogest Impurity pound(c);17|A-Cyanomethylestra-1,3,5(10),9(11)-tetraene-3,17|A-diol;17.ALPHA.-CYANOMETHYLESTRA-1,3,5(10),9(11)-TETRAENE-3,17.BETA.-DIOL;19-NORPREGNA-1,3,5(10),9(11)-TETRAENE-21-NITRILE, 3,17-DIHYDROXY-, (17.ALPHA.)-

Suppliers and Price of Dienogest Impurity G

Supply Marketing:Edit

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
?9,11-Dehydro-17α-cyanomethylEstradiol
25mg
$ 1390.00

Total 4 raw suppliers

Chemical Property of Dienogest Impurity G Edit

Chemical Property:

Melting Point:228 - 233°C
Boiling Point:551.2±50.0 °C(Predicted)
PKA:10.37±0.60(Predicted)
Density:1.25±0.1 g/cm3(Predicted)
Storage Temp.:-20°C Freezer, Under inert atmosphere
Solubility.:DMSO (Slightly), Methanol (Slightly, Sonicated)
XLogP3:3.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:309.172878976
Heavy Atom Count:23
Complexity:575

Purity/Quality:

99% ^*data from raw suppliers

?9,11-Dehydro-17α-cyanomethylEstradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CC=C3C(C1CCC2(CC#N)O)CCC4=C3C=CC(=C4)O
Isomeric SMILES:C[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(CC#N)O)CCC4=C3C=CC(=C4)O
Uses 9,11-Dehydro-17α-cyanomethyl Estradiol is a metabolite of progestin dienogest (D441870), and is currently being investigated for progesterone-receptor binding, progestational, antiprogestational, estrogenic and antigonadotropic activities for the inhibition of fertility. It is also being considered a novel treatment for heavy menstrual bleeding.

Technology Process of Dienogest Impurity G

There total 6 articles about Dienogest Impurity G 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: 88.0%

: 95853-09-1
17α-Cyanomethyl-17β-hydroxy-9α,10α-epoxyestra-4-en-3-on

: 86153-38-0
17α-Cyanomethylestra-1,3,5(10),9(11)-tetraen-3,17β-diol

Guidance literature:: With potassium hydroxide; In methanol; at 40 ℃; for 48h;

Reference yield:

: 65928-58-7
Dienogest

: 24284-84-2
17α-cyanomethyl-1,3,5(10)-estratriene-3,17-diol 3-methyl ether

: 16669-06-0
2-((8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrile

: 86153-38-0
17α-Cyanomethylestra-1,3,5(10),9(11)-tetraen-3,17β-diol

: 17α-cyanomethyl-1,3,5(10),9(11)-estratetraene-3,17-diol 3-methyl ether

Guidance literature:: With phosphate buffer; at 28 ℃; for 72h; Title compound not separated from byproducts; Mycobacterium smegmatis;
DOI:10.1016/0039-128X(82)90064-2