11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2
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11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2
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CAS No:
74158-09-1
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Formula:
C20H30O4
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Chemical Name:
11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2
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Synonyms:
11-deoxy-13,14-dihydro-15-keto-11 beta,16 xi-cyclo-PGE2;11-deoxy-15-keto-13,14-dihydro-11 beta, 16-cyclo-PGE2;11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2;bicyclo-PGEM;DKDBCYPGE2;PGE2-M;PGEM-II
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CAS No:
11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2 Basic Attributes
334.4498
334.214409
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P280, P301+P312, P302+P352, P312, P322, P330, P363, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2 Use and Manufacturing
Bicyclo prostaglandin E2 (bicyclo PGE2) is a stable breakdown product of PGE2 and 13,14-dihydro-15-keto PGE2 . Bicyclo PGE2 is a stable, base-catalyzed transformation product of 13,14-dihydro-15-keto PGE2. 13,14-dihydro-15-keto PGE2 itself is a metabolite of PGE2 found in human plasma at a median level of 20-25 pg/ml. Due to the inherent instability of 13,14-dihydro-15-keto PGE2, it is advisable to quantify it as bicyclo PGE2 to estimate PGE2 biosynthesis or metabolism in vivo.
Computed Properties
Molecular Weight:334.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:334.21440943
Monoisotopic Mass:334.21440943
Topological Polar Surface Area:71.4
Heavy Atom Count:24
Complexity:494
Undefined Atom Stereocenter Count:4
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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11-deoxy-15-keto-13,14-dihydro-11 beta,16-cycloprostaglandin E2
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