Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
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Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
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CAS No:
14487-05-9
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Formula:
C39H47NO14
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Chemical Name:
Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
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Synonyms:
Rifamycin,4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-,γ-lactone;Spiro[1,3-dioxolane-2,9′(6′H)-[2,7](epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan]-1′,4,6′,11′(2′H)-tetrone,5′,17′,19′,21′-tetrahydroxy-23′-methoxy-2′,4′,12′,16′,18′,20′,22′-heptamethyl-,21′-acetate;Rifomycin O;Acetic acid,[(1,2,6,9-tetrahydro-5,9,17,19,21-pentahydroxy-23-methoxy-2,4,12,16,18,20,22-heptamethyl-1,6,11-trioxo-2,7-(epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan-9-yl)oxy]-,γ-lactone,21-acetate;Spiro[1,3-dioxolane-2,9′(6′H)-[2,7](epoxypentadeca[1,11,13]trienimino)naphtho[2,1-b]furan],rifamycin deriv.;Rifamycin O;NSC 182391
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CAS No:
Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone Basic Attributes
753.79
753.79
238-493-1
Characteristics
213.45000
1.38
Yellow solid
1.2421 (rough estimate)
171°C (dec.)
730.16°C (rough estimate)
542.2±34.3 °C
1.5350 (estimate)
-20°C Freezer, Under Inert Atmosphere
D20 +71.5° (c = 1 in dioxane)
Safety Information
|Warning|H371 (100%): May cause damage to organs [Warning Specific target organ toxicity, single exposure]|P260, P264, P270, P273, P309+P311, P391, P405, and P501|Aggregated GHS information provided by 8 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone Use and Manufacturing
Rifaximin intermediate.
Computed Properties
Molecular Weight:753.8
XLogP3:4.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:3
Exact Mass:753.29965517
Monoisotopic Mass:753.29965517
Topological Polar Surface Area:213
Heavy Atom Count:54
Complexity:1640
Undefined Atom Stereocenter Count:10
Undefined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Rifamycin, 4-O-(carboxymethyl)-1-deoxy-1,4-dihydro-4-hydroxy-1-oxo-, γ-lactone
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