S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

Names

[ CAS No. ]:
101980-73-8

[ Name ]:
S-[2-oxo-2-[2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] benzenecarbothioate

[Synonym ]:
N-(trifluoroacetyl)adriamycin 14-thiobenzoate
Adriamycin 14-thioacetate

Chemical & Physical Properties

[ Density]:
1.61g/cm3

[ Boiling Point ]:
905.9ºC at 760mmHg

[ Molecular Formula ]:
C36H32F3NO12S

[ Molecular Weight ]:
759.69900

[ Flash Point ]:
501.7ºC

[ Exact Mass ]:
759.16000

[ PSA ]:
231.29000

[ LogP ]:
3.69330

[ Vapour Pressure ]:
2.23E-35mmHg at 25°C

[ Index of Refraction ]:
1.675

Synthetic Route

Precursor & DownStream

Precursor

  • Thiobenzoic acid
  • N-(trifluoroacetyl)-14-bromodaunorubicin

DownStream