N-Trifluoroacetyldoxorubicin

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Names

[ CAS No. ]:
26295-56-7

[ Name ]:
N-Trifluoroacetyldoxorubicin

[Synonym ]:
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)-

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Trifluoroacetonylmercaptoethanol
  • Doxorubicin Hydrochloride
  • Trifluoroacetic anhydride
  • Doxorubicin hydrochloride
  • Ethyl trifluoroacetate

DownStream

  • Valrubicin

Related Compounds

  • N-Trifluoroacetyldoxorubicin 14-valerate
  • N-trifluoroacetyldoxorubicin 14-O-hemiadipate
  • N-tert-butyl-3-nitroaniline
  • N-octanoyl benzotriazole
  • N,N-Dimethylcarbamic acid m-isopropylphenyl ester
  • N-(diaminomethylidene)pyrrolidine-1-carboximidamide,hydrochloride
  • (S)-5-(2-Amino-2-carboxyethyl)thiophene-3-carboxylic acid
  • tert-Butyl (R)-3-vinylmorpholine-4-carboxylate
  • Ethyl 4-chloro-1-(2-chlorophenyl)-1H-pyrazole-3-carboxylate
  • (2S,3R,4S,5S,6S)-2-(2-((2,2-Dimethyl-4-oxo-3,6,9,12-tetraoxa-5-azatetradecan-14-yl)carbamoyl)-4-(hydroxymethyl)phenoxy)-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
  • Ethyl 4-chloro-1-(4-chlorophenyl)-1H-pyrazole-3-carboxylate
  • 3-[4-[3-(2-Aminoethoxy)prop-1-ynyl]-1-oxo-isoindolin-2-yl]piperidine-2,6-dione
  • Thalidomide-O-acetamido-C3-Br
  • 4-Oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidine-2-carboxylic acid hydrochloride
  • Perfluoro-6-octene-1-sulfonic acid
  • Dimethyl (1,1,2,3,3,3-hexafluoropropyl)phosphonate
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