9,11-Dehydro Ethynyl Estradiol

Base Information

• Chemical Name: 9,11-Dehydro Ethynyl Estradiol
• CAS No.: 1231-96-5
• Molecular Formula: C₂₀H₂₂O₂
• Molecular Weight: 294.393
• Hs Code.: 2937230000
• European Community (EC) Number: 641-770-3
• UNII: 1521KR33D3
• Nikkaji Number: J1.691.120H
• Mol file: 1231-96-5.mol

Synonyms:9,11-Dehydro Ethynyl Estradiol;1231-96-5;9,11-Dehydro ethynylestradiol;delta9,11- Ethinyl estradiol;UNII-1521KR33D3;Ethinylestradiol impurity B [EP];1521KR33D3;(8S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthrene-3,17-diol;Ethinylestradiol specified impurity B [EP];19-Nor-17alpha-pregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol;19-Norpregna-1,3,5(10),9(11)-tetraen-20-yne-3,17-diol, (17alpha)-;9,11-DehydroEthynylEstradiol;SCHEMBL22821472;AKOS027326660;CS-O-05547;.DELTA.9,11- ETHINYL ESTRADIOL;ETHINYLESTRADIOL IMPURITY B [EP IMPURITY];Q27251676;17alpha-Ethynylestra-1,3,5(10),9(11)-tetraene-3,17-diol;19-NOR-17.ALPHA.-PREGNA-1,3,5(10),9(11)-TETRAEN-20-YNE-3,17-DIOL;19-NORPREGNA-1,3,5(10),9(11)-TETRAEN-20-YNE-3,17-DIOL, (17.ALPHA.)-;(1R,3aS,3bS,11aS)-1-ethynyl-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,11H,11aH-cyclopenta[a]phenanthrene-1,7-diol;Ethinylestradiol Imp. B (EP);9,11-Didehydroethinylestradiol;Ethinyl Estradiol Related Compound B;Ethinylestradiol Impurity B

Chemical Property of 9,11-Dehydro Ethynyl Estradiol

Chemical Property:

• PSA: 40.46000
• LogP: 3.52230
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 294.161979940
• Heavy Atom Count: 22
• Complexity: 555

Purity/Quality:

99% ^*data from raw suppliers

9,11-DehydroEthynylEstradiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CC=C3C(C1CCC2(C#C)O)CCC4=C3C=CC(=C4)O
• Isomeric SMILES: C[C@]12CC=C3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O
• Uses: A degradation product of Ethynyl Estradiol (EE); an impurity of Ethynyl Estradiol (E685100).

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