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Ulipristal acetate InterMediate structure
Ulipristal acetate InterMediate structure

Ulipristal acetate InterMediate

Iupac Name:[(8S,11R,13S,14S,17R)-17-acetyl-13-methyl-11-[4-(methylamino)phenyl]-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
CAS No.: 159681-66-0
Molecular Weight:461.5925
Modify Date.: 2022-03-28 03:47
Introduction: N-Desmethyl Ulipristal Acetate is the N-monodemethylated analogue and metabolite of the selective progesterone receptor modulator tes significantly to the antiprogestational activity of its parent compound. Ulipristal acetate InterMediateSupplier View more+
1. Names and Identifiers
1.1 Name
Ulipristal acetate InterMediate
1.2 Synonyms

(11Β)-11-[4-(Methylamino)phenyl]-3,20-dioxo-19-norpregna-4,9-dien-17-yl acetate (8S,11R,13S,14S,17R)-17-acetyl-13-methyl 17α-Acetoxy-11β-[4-(N-MethylaMino)-phenyl]- 19-norpregna-4,9-diene-3,20-dione Estra-4,9-dien-3-one, 17-acetyl-17-(acetyloxy)-11-[4-(methylamino)phenyl]-, (11Β,17α)- N-DesMethyl Ulipristal Acetate N-Desmethyl Ulipristal Acetate-13C-d3 Ulipristal Acetate Impurity1 Ulipristal Acetate Impurity2 Ulipristal Impurity 4 Ulipristal-002

1.3 CAS No.
159681-66-0
1.4 CID
15908064
1.5 Molecular Formula
C29H35NO4 (isomer)
1.6 Inchi
InChI=1S/C29H35NO4/c1-17(31)29(34-18(2)32)14-13-26-24-11-7-20-15-22(33)10-12-23(20)27(24)25(16-28(26,29)3)19-5-8-21(30-4)9-6-19/h5-6,8-9,15,24-26,30H,7,10-14,16H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
1.7 InChkey
AQCANMLYXHZIRW-GCNJZUOMSA-N
1.8 Canonical Smiles
CC(=O)C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC=C(C=C5)NC)C)OC(=O)C
1.9 Isomers Smiles
CC(=O)[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)OC(=O)C
2. Properties
3.1 Density
1.20±0.1 g/cm3(Predicted)
3.1 Boiling point
639.5±55.0 °C(Predicted)
3.1 Refractive index
1.595
3.1 Flash Point
340.6±31.5 °C
3.1 Precise Quality
461.256622
3.1 logP
3.74
3.1 Chemical Properties
Beige Solid
3.2 pKa
5.01±0.42(Predicted)
3. Use and Manufacturing
4.1 Usage
N-Desmethyl Ulipristal Acetate is the N-monodemethylated analogue and metabolite of the selective progesterone receptor modulator tes significantly to the antiprogestational activity of its parent compound. Ulipristal acetate InterMediateSupplier
4. Other Information
4.0 Chemical Properties
Beige Solid
4.1 Uses
N-Desmethyl Ulipristal Acetate is the N-monodemethylated analogue and metabolite of the selective progesterone receptor modulator tes significantly to the antiprogestational activity of its parent compound.
4.2 Uses
N-Desmethyl Ulipristal Acetate is the N-monodemethylated analogue and metabolite of the selective progesterone receptor modulator Ulipristal Acetate (U700810). N-Desmethyl Ulipristal Acetate contributes significantly to the antiprogestational activity of its parent compound.
5. Computational chemical data
  • Molecular Weight: 461.5925g/mol
  • Molecular Formula: C29H35NO4
  • Compound Is Canonicalized: True
  • XLogP3-AA: 3.3
  • Exact Mass: 461.25660860
  • Monoisotopic Mass: 461.25660860
  • Complexity: 955
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Topological Polar Surface Area: 72.5
  • Heavy Atom Count: 34
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
6. Recommended Suppliers
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Ulipristal acetate InterMediate
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/gram
  • Time: 2022/04/24
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N-Desmethyl Ulipristal Acetate
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2019/04/01
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