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Basic information

  • Name:

  • 2-Butenoic acid,4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methylbutyl]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propen-1-yl-2H-pyran-4-ylester

  • CAS No.:

  • 84777-85-5

  • Formula:
  • C48H71 N O14
  • Synonyms:
  • 2-Butenoicacid, 4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-,(2R,4R,5S,6R)-2-[(1S,2R,3S)-3-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-2-hydroxy-1-methylbutyl]tetrahydro-2-hydroxy-5-methyl-6-(1E)-1-propenyl-2H-pyran-4-ylester (9CI); Concanamycin A, 23-O-de[4-O-(aminocarbonyl)-2,6-dideoxy-b-D-arabino-hexopyranosyl]-23-O-[4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-1,4-dioxo-2-butenyl]-;2-Butenoic acid, 4-[(2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino]-4-oxo-, 2-[3-(11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-2-hydroxy-1-methylbutyl]tetrahydro-2-hydroxy-5-methyl-6-(1-propenyl)-2H-pyran-4-ylester, [2R-[2R*[1S*[2R*,4R*,5S*,6R*(E)],2R*,3S*],3S*,4E,6E,9R*,10S*,11S*,12R*,13R*,14E,16Z]]-;Antibiotic AM 2604A; Virustomycin A

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Chemistry

IUPAC Name: [(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2S,3Z,5Z,8R,9S,10S,11R,12R,13Z,15E)-10-Ethyl-9,11-dihydroxy-2,16-dimethoxy-6,8,12,14-tetramethyl-17-oxo-18-oxacyclooctadeca-3,5,13,15-tetraen-1-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(Z)-prop-1-enyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Synonyms of Virustomycin A (CAS NO.84777-85-5) : Antibiotic AM-2604 A ; Concanamycin A, 23-O-de(4-O-(aminocarbonyl)-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-23-O-(4-((2-hydroxy-5-oxo-1-cyclopenten-1-yl)amino)-1,4-dioxo-2-butenyl)-
InChI:InChI=1/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12-,17-14-,21-20+,26-16-,27-23-,38-24+/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46?,48-/m1/s1
CAS NO:84777-85-5
Molecular Formula:C48H71NO14
Molecular Weight :886.0756
Molecular Structure :
Index of Refraction: 1.569
Surface Tension: 54.8 dyne/cm
Density: 1.22 g/cm3
Flash Point: 552.1 °C
Enthalpy of Vaporization: 163.47 kJ/mol
Boiling Point: 989.2 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 3mg/kg (3mg/kg)   European Patent Application. Vol. #85859

Safety Profile

Poison by intraperitoneal route. Mutation data reported. When Virustomycin A (CAS NO.84777-85-5) is heated to decomposition, it emits toxic fumes of NOx.

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