Ergometrinine
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Ergometrinine
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CAS No:
479-00-5
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Formula:
C19H23N3O2
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Chemical Name:
Ergometrinine
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Synonyms:
Ergoline-8-carboxamide,9,10-didehydro-N-[(1S)-2-hydroxy-1-methylethyl]-6-methyl-,(8α)-;Ergoline-8α-carboxamide,9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methyl-;Ergometrinine;Ergoline-8-carboxamide,9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methyl-,[8α(S)]-;Indolo[4,3-fg]quinoline,ergoline-8-carboxamide deriv.;(8α)-9,10-Didehydro-N-[(1S)-2-hydroxy-1-methylethyl]-6-methylergoline-8-carboxamide;Ergobasinine;Ergonovinine;Ergobasinin;Ergometrinin;D-Lysergic acid D-propanolamide;Isoergometrine;11002-47-4;18686-35-6
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CAS No:
Characteristics
68.4
1.8
1.1611 (rough estimate)
195 °C (decomp)
463.59°C (rough estimate)
D20 +416° (c = 0.45 in chloroform)
Ergometrinine Use and Manufacturing
Ergometrinin was investigated as a selective and cell-active inhibitors of USP1/UAF1 deubiquitinase.
Computed Properties
Molecular Weight:325.4
XLogP3:1.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:325.17902698
Monoisotopic Mass:325.17902698
Topological Polar Surface Area:68.4
Heavy Atom Count:24
Complexity:535
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes