N-Trifluoroacetyldoxorubicin

Modify Date: 2024-01-11 11:55:57

N-Trifluoroacetyldoxorubicin structure	Common Name	N-Trifluoroacetyldoxorubicin
	CAS Number	26295-56-7	Molecular Weight	639.52700
	Density	1.66g/cm3	Boiling Point	855.4ºC at 760 mmHg
	Molecular Formula	C₂₉H₂₈F₃NO₁₂	Melting Point	N/A
	MSDS	N/A	Flash Point	471.1ºC

Use of N-Trifluoroacetyldoxorubicin

N-Trifluoroacetyladriamycin is a metabolite of valrubicin. Valrubicin (N-trifluoroacetyladriamycin-14-valerate, trade name Valstar) is a chemotherapy drug used to treat bladder cancer. Valrubicin is a semisynthetic analog of the anthracycline doxorubicin, and is administered by infusion directly into the bladder. It was originally launched as Valstar in the U.S.

Name	N-Trifluoroacetyldoxorubicin
Synonym	More Synonyms

Density	1.66g/cm3
Boiling Point	855.4ºC at 760 mmHg
Molecular Formula	C₂₉H₂₈F₃NO₁₂
Molecular Weight	639.52700
Flash Point	471.1ºC
Exact Mass	639.15600
PSA	209.15000
LogP	1.11200
Vapour Pressure	3.7E-31mmHg at 25°C
Index of Refraction	1.656

CHEMICAL IDENTIFICATION

RTECS NUMBER :: QI9428000

CHEMICAL NAME :: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-(hydroxyacetyl)-1-methoxy-10-(( 2,3,6-trideoxy- 3-(trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy )-6,8,11-trihydroxy-, (8S-cis)-

CAS REGISTRY NUMBER :: 26295-56-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 3

MOLECULAR FORMULA :: C29-H28-F3-N-O12

MOLECULAR WEIGHT :: 639.58

WISWESSER LINE NOTATION :: L E6 C666 BV MVT&&&J DQ HV1Q HQ KQ RO1 FO- FT6OTJ B1 CQ DMVXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :: DNA damage

TEST SYSTEM :: Rodent - mouse Leukocyte

DOSE/DURATION :: 9 umol/L

REFERENCE :: CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 41,1006,1981

Trifluoroaceton...

CAS#:383-64-2

Doxorubicin Hyd...

CAS#:25316-40-9

~86%

N-Trifluoroacet...

CAS#:26295-56-7

Literature: Acton; Tong Journal of Medicinal Chemistry, 1981 , vol. 24, # 6 p. 669 - 673

Doxorubicin Hyd...

CAS#:25316-40-9

Trifluoroacetic...

CAS#:407-25-0

~88%

N-Trifluoroacet...

CAS#:26295-56-7

Literature: Zhang, Yifei; Dai, Yang; Hou, Miao; Li, Tian; Ge, Jun; Liu, Zheng RSC Advances, 2013 , vol. 3, # 45 p. 22963 - 22966

Doxorubicin hyd...

CAS#:23214-92-8

~82%

N-Trifluoroacet...

CAS#:26295-56-7

Literature: Berube; Richardson; Ford Synthetic Communications, 1991 , vol. 21, # 7 p. 931 - 944

Doxorubicin hyd...

CAS#:23214-92-8

Ethyl trifluoro...

CAS#:383-63-1

~82%

N-Trifluoroacet...

CAS#:26295-56-7

Literature: Berube; Lepage Synthetic Communications, 1998 , vol. 28, # 6 p. 1109 - 1116

Precursor 5
CAS#:383-64-2 Trifluoroaceton... CAS#:25316-40-9 Doxorubicin Hyd... CAS#:407-25-0 Trifluoroacetic... CAS#:23214-92-8 Doxorubicin hyd...
CAS#:383-63-1 Ethyl trifluoro...
DownStream 1
CAS#:56124-62-0 Valrubicin

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-6,8,11-trihydroxy-8-(hydroxyacetyl)-1-methoxy-10-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.α.-L-lyxo-hexopyranosyl]oxy]-, (8S-cis)-