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

Click to get detail synthetic route

Precursor & DownStream

Precursor

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

DownStream

Related Compounds

  • (3-Bromo-2,6-dimethoxyphenyl)(morpholino)methanone
  • 1-[2-(Morpholin-4-yl)-1,3-thiazol-5-yl]cyclopropane-1-carbaldehyde
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 5-Chloro-6-[3-(morpholine-4-carbonyl)azetidin-1-yl]pyridine-3-carbonitrile
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde