Cas no 39791-20-3 (Nilestriol)

Nilestriol structure
Nilestriol structure
Product Name:Nilestriol
CAS No:39791-20-3
MF:C25H32O3
MW:380.519787788391
CID:55094
PubChem ID:38346
Update Time:2025-04-18

Nilestriol Chemical and Physical Properties

Names and Identifiers

    • Nilestriol
    • nylestriol
    • 3-(cyclopentyloxy)-17alpha-ethinyl-1,3,5(10)-estratrien-16alpha,17beta-diol
    • 17alpha-ethynylestra-1,3,5(10)-triene-3,16alpha,17beta-triol 3-cyclopentyl ether
    • 17α-Ethynyl-3-cyclopentyloxyestra-1,3,5(10)-triene-16α,17β-diol
    • (8R,9S,13S,14S,16R,17R)-3-(cyclopentoxy)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
    • (8R,9S,13S,14S,16R,17R)-3-cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
    • 3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)trien-20-yne-16alpha,17-diol
    • Nylestriol [USAN]
    • 19-Norpregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16alpha,17alpha)-
    • UNII-7JA3B3IALU
    • 19-Nor-17-pregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-, (16alpha,17alpha)-
    • 19-NOR-17-PREGNA-1,3,5(10)-TRIEN-20-YNE-16,17-DIOL, 3-(CYCLOPENTYLOXY)-, (16.ALPHA.,17.ALPHA.)-
    • Nilestriol (INN)
    • Lilly 49825
    • 3-(Cyclopentyloxy)-19-nor-17alpha-pregna-1,3,5(10)trien-20-in-16alpha,17-diol
    • 19-Norpregna-1,3,5(10)-trien-20-yne-16,17-diol, 3-(cyclopentyloxy)-,(16a,17a)-
    • 39791-20-3
    • LY 49825
    • Nylestriol [USAN:INN:BAN]
    • Nilestriolum [INN-Latin]
    • Nilestriol [INN]
    • (8R,9S,13S,14S,16R,17R)-3-(cyclopentyloxy)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16,17-diol
    • SCHEMBL668174
    • CHEMBL2104468
    • NS00120687
    • AKOS040744682
    • D05212
    • NILESTRIOL [WHO-DD]
    • Q27268409
    • Nylestriol (USAN)
    • DTXSID601043308
    • 7JA3B3IALU
    • Nilestriolum
    • CS-0082472
    • 17 alpha-ethinylestriol 3-cyclopentyl ether
    • 17.ALPHA.-ETHYNYLESTRA-1,3,5(10)-TRIENE-3,16.ALPHA.,17.BETA.-TRIOL 3-CYCLOPENTYL ETHER
    • LY-49825
    • 17 alpha-ethynylestriol 3-cyclopentyl ether
    • EE3CPE
    • HY-121528
    • Nilestriolum (INN-Latin)
    • MDL: MFCD00867390
    • Inchi: 1S/C25H32O3/c1-3-25(27)23(26)15-22-21-10-8-16-14-18(28-17-6-4-5-7-17)9-11-19(16)20(21)12-13-24(22,25)2/h1,9,11,14,17,20-23,26-27H,4-8,10,12-13,15H2,2H3/t20-,21-,22+,23-,24+,25+/m1/s1
    • InChI Key: CHZJRGNDJLJLAW-RIQJQHKOSA-N
    • SMILES: O[C@@]1(C#C)[C@@H](C[C@H]2[C@@H]3CCC4C=C(C=CC=4[C@H]3CC[C@@]21C)OC1CCCC1)O

Computed Properties

  • Exact Mass: 380.23500
  • Monoisotopic Mass: 380.235
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 28
  • Rotatable Bond Count: 2
  • Complexity: 645
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.3
  • Topological Polar Surface Area: 49.7A^2

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.2±0.1 g/cm3
  • Melting Point: No data available
  • Boiling Point: 521.7±50.0 °C at 760 mmHg
  • Flash Point: 269.3±30.1 °C
  • Refractive Index: 1.611
  • PSA: 49.69000
  • LogP: 4.19920
  • Vapor Pressure: No data available

Nilestriol Security Information

Nilestriol Pricemore >>

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