Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal)
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Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal)
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CAS No:
5571-36-8
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Formula:
C20H26O3
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Chemical Name:
Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal)
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Synonyms:
Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(1,2-ethanediyl acetal);Estra-5(10),9(11)-diene-3,17-dione,cyclic 3-(ethylene acetal);Spiro[3H-cyclopenta[a]phenanthrene-3,2′-[1,3]dioxolane],estra-5(10),9(11)-diene-3,17-dione deriv.;3,3-(Ethylenedioxy)estra-5(10),9(11)-dien-17-one;Ethylene deltenone
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CAS No:
Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal) Basic Attributes
314.42
314.42
611-306-4
DTXSID30427741
2932999099
Characteristics
35.5
1.8
off-white solid
1.2±0.1 g/cm3
152-154ºC
488.1°C at 760 mmHg
241.3±15.1 °C
1.582
-20ºC Freezer
Safety Information
III
3077
P201, P202, P260, P273, P281, P308+P313, P314, P391, P405, P501
H360F
|Danger|H360F ***: May damage fertility [Danger Reproductive toxicity]|P201, P202, P260, P273, P281, P308+P313, P314, P391, P405, and P501|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P201, P202, P260, P264, P270, P273, P281, P301+P312, P308+P313, P314, P330, P391, P405, and P501|Aggregated GHS information provided by 4 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]|P201, P202, P260, P264, P270, P273, P281, P308+P313, P314, P391, P405, and P501|Aggregated GHS information provided by 16 companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.|H360F: May damage fertility [Danger Reproductive toxicity]
Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal) Use and Manufacturing
Mifepristone intermediate; antiprogestational antiglucocorticoid antagonist steroidal spirooxazole.
Computed Properties
Molecular Weight:314.4
XLogP3:1.8
Hydrogen Bond Acceptor Count:3
Exact Mass:314.18819469
Monoisotopic Mass:314.18819469
Topological Polar Surface Area:35.5
Heavy Atom Count:23
Complexity:623
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Estra-5(10),9(11)-diene-3,17-dione, cyclic 3-(1,2-ethanediyl acetal)
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