Ethynodiol Diacetate and Ethinyl Estradiol

Base Information

• Chemical Name: Ethynodiol Diacetate and Ethinyl Estradiol
• CAS No.: 8075-78-3
• Molecular Formula: C24H32O4•C20H24O2
• Molecular Weight: 681.00
• DSSTox Substance ID: DTXSID701001456
• Mol file: 8075-78-3.mol

Synonyms:(17 alpha)-19-norpregna-1,3,5(10)-trien-20-yne-3,17-diol, mixt. with (3 beta,17 alpha)-19-norpregn-4-en-20-yne-3,17-diol diacetate;Bisecurin II;Conova 30;Demulen;Lestrin;Ovulen 50;Ovulen-50;SC 11800 EE;SC-11800 EE

Chemical Property of Ethynodiol Diacetate and Ethinyl Estradiol

Chemical Property:

• Vapor Pressure: 1.11E-08mmHg at 25°C
• Boiling Point: 461.1°C at 760 mmHg
• Flash Point: 221.8°C
• PSA: 93.06000
• LogP: 8.03850
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 680.40768950
• Heavy Atom Count: 50
• Complexity: 1260

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1CCC2C3CCC4(C(C3CCC2=C1)CCC4(C#C)OC(=O)C)C.CC12CCC3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@]4([C@H]([C@@H]3CCC2=C1)CC[C@]4(C#C)OC(=O)C)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O