Basic information
- CAS
24284-84-2- Standard SMILES
COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)CC#N- InChIKey
VWOJRCBNKPNYOG-CRSSMBPESA-N- Molecular formula
- C21H27NO2
- Average molar mass
- 325.4 g/mol
- Monoisotopic mass
- 325.2041791
Names & identifiers
- Preferred name
- 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
- IUPAC
- 2-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile
- English name
- Sts 64
- Molecular formula
- C21H27NO2
- Molecular weight
- 325.45
Names & synonyms
24284-84-2Dienogest EP Impurity JSts 642-[(8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetonitrile17alpha-Cyanomethylestradiol 3-methyl ether(17alpha)-17-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-triene-21-nitrileCMEME19-Norpregna-1,3,5(10)-triene-21-nitrile, 17-hydroxy-3-methoxy-, (17alpha)-2-((8R,9S,13S,14S,17R)-17-hydroxy-3-methoxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl)acetonitrileDienogest Impurity J8U5T7SU8VWSTS64
Show more names
Dinoregin impurity JDinorgestrel EP impurity J17 alpha-cyanomethylestradiol 3-methyl etherDienogest Impurity 11 (Dienogest EP Impurity J)（3-Methoxy-17α-cyanomethyl-oestra-1,3,5(10)-trien-17β-ol）17α-cyanomethyl-1,3,5(10)-estratriene-3,17-diol 3-methyl ether[17-Hydroxy-3-methoxyestra-1,3,5(10)-trien-17α-yl]acetonitrile
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Physicochemical properties
- Boiling point
- 508.8 · 508.8±50.0 °C(Predicted)
- Density
- 1.131 · 1.131±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.40(Predicted)
Chemistry & industry
Applications
Uses(17α)-17-Hydroxy-3-methoxy-19-norpregna-1,3,5(10)-triene-21-nitrile is an impurity J of Dienogest (D441870); a useful contraceptive agent. Also shown to decrease blood cholesterol levels when given to women with hypercholesterolemia.
Suppliers24 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
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Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
深圳市简一生物科技有限公司0755-84826604 · [email protected]
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杭州云易国科生物科技有限公司18457506494 · [email protected]
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TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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