(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate
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(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate
structure -
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CAS No:
81340-07-0
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Formula:
C18H23NO5
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Chemical Name:
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate
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Synonyms:
NSC333058;81340-07-0;CHEMBL37943;DTXSID70318609;NSC-333058;PYRROLIZIDINE ALKALOID N-OXIDE, MM-I-54 SEMISYNTHETIC
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CAS No:
(7-hydroxy-4-oxido-5,6,7,8-tetrahydro-3H-pyrrolizin-4-ium-1-yl)methyl 2-hydroxy-2-phenylbutanoate Basic Attributes
333.4 g/mol
333.15762283 g/mol
333058
DTXSID70318609
Computed Properties
Molecular Weight:333.4
XLogP3:0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:333.15762283
Monoisotopic Mass:333.15762283
Topological Polar Surface Area:84.8
Heavy Atom Count:24
Complexity:516
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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