Cas no 106765-04-2 (6,7-Dehydro Norethindrone Acetate)

6,7-Dehydro Norethindrone Acetate structure
106765-04-2 structure
Product Name:6,7-Dehydro Norethindrone Acetate
CAS No:106765-04-2
MF:C22H26O3
MW:338.440046787262
CID:169518
PubChem ID:3065098
Update Time:2024-11-03

6,7-Dehydro Norethindrone Acetate Chemical and Physical Properties

Names and Identifiers

    • 19-Nor-17a-pregna-4,6-dien-20-yn-3-one,17-hydroxy-, acetate (6CI,7CI)
    • 6,7-Dehydro Norethindrone Acetate
    • [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,8,9,10,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
    • Brn 2173628
    • -6(7)-Norenthindrone Acetate
    • 17-Hydroxy-19-Nor-17α-pregna-4,6-dien-20-yn-3-one Acetate
    • 17-Hydroxy-19-nor-17-alpha-pregna-4,6-dien-20-yn-3-one acetate
    • 19-Nor-17-alpha-pregna-4,6-dien-20-yn-3-one, 17-hydroxy-, acetate
    • 17-alpha-Ethynyl-19-nor-delta(sup 4,6)-androstadiene-17-beta-ol-3-one-17-acetate
    • 106765-04-2
    • 3-Oxo-19-norpregna-4,6-dien-20-yn-17-yl acetate
    • 19-NOR-17.ALPHA.-PREGNA-4,6-DIEN-20-YN-3-ONE, 17-HYDROXY-, ACETATE
    • CP4TBM4VMG
    • UNII-CP4TBM4VMG
    • 6,7-Didehydronorethisterone Acetate
    • A)-
    • 19-NOrpregna-4,6-dien-20-yn-3-one, 17-(acetyloxy)-, (17
    • AKOS032958263
    • DTXSID00910110
    • 17?-Acetoxy-19-nor-17?-pregna-4,6-dien-20-yn-3-one
    • Inchi: 1S/C22H26O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,5,7,13,17-20H,6,8-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1
    • InChI Key: DQSVONCNGQQILU-ZCPXKWAGSA-N
    • SMILES: O(C(C)=O)[C@@]1(C#C)CC[C@H]2[C@@H]3C=CC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 338.18800
  • Monoisotopic Mass: 338.188
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 3
  • Complexity: 736
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 6
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4A^2
  • XLogP3: 3

Experimental Properties

  • Density: 1.16±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: 177-178 oC
  • Boiling Point: 469.7°Cat760mmHg
  • Flash Point: 204.6°C
  • Refractive Index: 1.57
  • Solubility: Insuluble (5.8E-3 g/L) (25 oC),
  • PSA: 43.37000
  • LogP: 3.83930

6,7-Dehydro Norethindrone Acetate Pricemore >>

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