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

Modify Date: 2024-02-07 12:12:46

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 Structure
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 structure
Common 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
CAS Number 101980-73-8 Molecular Weight 759.69900
Density 1.61g/cm3 Boiling Point 905.9ºC at 760mmHg
Molecular Formula C36H32F3NO12S Melting Point N/A
MSDS N/A Flash Point 501.7ºC

 Names

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 More Synonyms

 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

~79%

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 Structure

S-[2-oxo-2-[2,5...

CAS#:101980-73-8

Literature: Seshadri; Idriss; Israel Journal of Medicinal Chemistry, 1986 , vol. 29, # 7 p. 1269 - 1273

 Precursor & DownStream

Precursor  2

DownStream  0

 Synonyms

N-(trifluoroacetyl)adriamycin 14-thiobenzoate
Adriamycin 14-thioacetate