Magnesium tanshinoate B
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Magnesium tanshinoate B
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CAS No:
122021-74-3
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Formula:
C36H28MgO16
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Chemical Name:
Magnesium tanshinoate B
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Synonyms:
Magnesium,[(1R)-1-(carboxy-κO)-2-(3,4-dihydroxyphenyl)ethyl (2S,3S)-4-[(1E)-3-[(1R)-1-(carboxy-κO)-2-(3,4-dihydroxyphenyl)ethoxy]-3-(oxo-κO)-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-)-κO3′]-,(T-4)-;Magnesium,[1-(carboxy-κO)-2-(3,4-dihydroxyphenyl)ethyl 4-[3-[1-(carboxy-κO)-2-(3,4-dihydroxyphenyl)ethoxy]-3-(oxo-κO)-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-)-κO3′]-,[T-4-[2S-[2α,3β(S*),4[E(S*)]]]]-;3-Benzofurancarboxylic acid,4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-,1-carboxy-2-(3,4-dihydroxyphenyl)ethyl ester,magnesium complex,[2S-[2α,3β(S*),4[E(S*)]]]-;Magnesium lithospermate B;Magnesium,[1-carboxy-2-(3,4-dihydroxyphenyl)ethyl 4-[3-[1-carboxy-2-(3,4-dihydroxyphenyl)ethoxy]-3-oxo-1-propenyl]-2-(3,4-dihydroxyphenyl)-2,3-dihydro-7-hydroxy-3-benzofurancarboxylato(2-)]-,[T-4-[2S-[2α,3β(S*),4[E(S*)]]]]-;Magnesium tanshinoate B;Lithospermic acid B Mg complex;127854-48-2;132428-45-6
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CAS No:
Drug Information
Substances that eliminate free radicals. Among other effects, they protect PANCREATIC ISLETS against damage by CYTOKINES and prevent myocardial and pulmonary REPERFUSION INJURY. (See all compounds classified as Free Radical Scavengers.)
lithospermate B
Computed Properties
Molecular Weight:740.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:12
Exact Mass:740.1227765
Monoisotopic Mass:740.1227765
Topological Polar Surface Area:284
Heavy Atom Count:53
Complexity:1280
Undefined Atom Stereocenter Count:4
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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