N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide

Modify Date: 2025-10-22 11:53:00

N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide structure	Common Name	N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
	CAS Number	83291-70-7	Molecular Weight	823.91200
	Density	1.38g/cm3	Boiling Point	903.6ºC at 760 mmHg
	Molecular Formula	C₄₁H₅₂F₃NO₁₁S	Melting Point	N/A
	MSDS	N/A	Flash Point	500.3ºC

Name	N-[6-[[3-(2-dodecylsulfanylacetyl)-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyloxan-4-yl]-2,2,2-trifluoroacetamide
Synonym	More Synonyms

Density	1.38g/cm3
Boiling Point	903.6ºC at 760 mmHg
Molecular Formula	C₄₁H₅₂F₃NO₁₁S
Molecular Weight	823.91200
Flash Point	500.3ºC
Exact Mass	823.32100
PSA	217.71000
LogP	7.22320
Index of Refraction	1.601
InChIKey	IAJYOYSKGCFTOX-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCCSCC(=O)C1(O)Cc2c(O)c3c(c(O)c2C(OC2CC(NC(=O)C(F)(F)F)C(O)C(C)O2)C1)C(=O)c1c(OC)cccc1C3=O

N-(trifluoroace...

CAS#:77270-18-9

1-Dodecanethiol

CAS#:112-55-0

~89%

N-[6-[[3-(2-dod...

CAS#:83291-70-7

Literature: Seshadri, Ramakrishnan; Israel, Mervyn; Pegg, William J. Journal of Medicinal Chemistry, 1983 , vol. 26, # 1 p. 11 - 15

14-bromodaunorubicin

CAS#:65026-79-1

N-[6-[[3-(2-dod...

CAS#:83291-70-7

Literature: Seshadri, Ramakrishnan; Israel, Mervyn; Pegg, William J. Journal of Medicinal Chemistry, 1983 , vol. 26, # 1 p. 11 - 15

Precursor 3
CAS#:77270-18-9 N-(trifluoroace... CAS#:112-55-0 1-Dodecanethiol CAS#:65026-79-1 14-bromodaunorubicin
DownStream 0

Hydroxysulfonamide 47

Methanesulfonamide,1,1,1-trifluoro-N-hydroxy

Names