Ethynylestradiol 3-sulfate
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Ethynylestradiol 3-sulfate
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CAS No:
24560-70-1
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Formula:
C20H24O5S
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Chemical Name:
Ethynylestradiol 3-sulfate
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Synonyms:
19-Norpregna-1,3,5(10)-trien-20-yne-3,17-diol,3-(hydrogen sulfate),(17α)-;19-Nor-17α-pregna-1,3,5(10)-trien-20-yne-3,17-diol,3-(hydrogen sulfate);Ethynylestradiol 3-sulfate;Ethynylestradiol sulfate;17α-Ethynylestradiol 3-sulfate;17α-Ethinylestradiol-3-sulfate
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CAS No:
Description
17alpha-ethynylestradiol 3-sulfate is a steroid sulfate that is 17alpha-ethynylestradiol in which the phenolic hydrogen at position 3 has been replaced by a sulfo group. It has a role as an estrogen and an antineoplastic agent. It is a steroid sulfate and a 17beta-hydroxy steroid. It derives from a 17alpha-ethynylestradiol. It is a conjugate acid of a 17alpha-ethynylestradiol 3-sulfate(1-).
Computed Properties
Molecular Weight:376.5
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:376.13444504
Monoisotopic Mass:376.13444504
Topological Polar Surface Area:92.2
Heavy Atom Count:26
Complexity:718
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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