6-KetoEthynylEstradiol
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6-KetoEthynylEstradiol
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CAS No:
38002-18-5
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Formula:
C20H22O3
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Chemical Name:
6-KetoEthynylEstradiol
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Synonyms:
6-KETO ETHINYL ESTRADIOL;6-KETOETHYNYLESTRADIOL;1,3,5(10)-ESTRATRIEN-17-ALPHA-ETHYNYL-3,17-BETA-DIOL-6-ONE;Ethinylestradiol EP Imp G;Ethinylestradiol Impurity 7（Ethinylestradiol EP Impurity G）;(8R,9S,13S,14S,17R)-17-ethynyl-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-6-one;3,17BETA-DIHYDROXY-17A-ETHYNYLESTRA-1,3,5(10)-TRIEN-6-ONE;3,17BETA-DIHYDROXY-19-NORPREGNA-1,3,5(10)-TRIEN-20-YN-6-ONE
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CAS No:
Safety Information
|Danger|H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P263, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P391, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
6-KetoEthynylEstradiol Use and Manufacturing
An oxidative tranformation product of Norethindrone Acetate (N675990) and Ethynyl Estradiol (E685100).
Computed Properties
Molecular Weight:310.4
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:310.15689456
Monoisotopic Mass:310.15689456
Topological Polar Surface Area:57.5
Heavy Atom Count:23
Complexity:575
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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