Cas no 65445-09-2 (19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI))

19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI) structure
65445-09-2 structure
Product Name:19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI)
CAS No:65445-09-2
MF:C25H34O3
MW:382.535667896271
CID:515021
PubChem ID:63026
Update Time:2025-04-19

19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI)
    • [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] 2,2-dimethylpropanoate
    • norethindrone pivalate
    • (17beta)-17-Ethynyl-3-oxoestr-4-en-17-yl pivalate
    • 19-Norpregn-4-en-20-yn-3-one, 17-(2,2-dimethyl-1-oxopropoxy)-, (17alpha)-
    • propanoic acid, 2,2-dimethyl-, (17beta)-17-ethynyl-3-oxoestr-4-en-17-yl ester
    • DTXSID20215770
    • 65445-09-2
    • Inchi： 1S/C25H34O3/c1-6-25(28-22(27)23(2,3)4)14-12-21-20-9-7-16-15-17(26)8-10-18(16)19(20)11-13-24(21,25)5/h1,15,18-21H,7-14H2,2-5H3/t18-,19+,20+,21-,24-,25-/m0/s1
    • InChI Key： PZXAQHCWXLHKAY-HGBFTFLOSA-N
    • SMILES： O(C(C(C)(C)C)=O)[C@@]1(C#C)CC[C@H]2[C@@H]3CCC4=CC(CC[C@@H]4[C@H]3CC[C@@]21C)=O

Computed Properties

  • Exact Mass: 382.25092
  • Monoisotopic Mass: 382.250795
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 4
  • Complexity: 775
  • 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
  • XLogP3: 4.9
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Density: 1.0093 (rough estimate)
  • Boiling Point: 469.67°C (rough estimate)
  • Flash Point: 206.5°C
  • Refractive Index: 1.5460 (estimate)
  • PSA: 43.37

19-Norpregn-4-en-20-yn-3-one,17-(2,2-dimethyl-1-oxopropoxy)-, (17a)- (9CI) Related Literature

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