5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-,hydrochloride, (7S,9S)- (9CI)

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Names

[ CAS No. ]:
64363-63-9

[ Name ]:
5,12-Naphthacenedione,7-[(3-amino-2,3,6-trideoxy-a-L-lyxo-hexopyranosyl)oxy]-7,8,9,10-tetrahydro-6,9,11-trihydroxy-9-(hydroxyacetyl)-,hydrochloride, (7S,9S)- (9CI)

[Synonym ]:
7-Deoxydoxorubicin aglycone
7-deoxyadriamycin aglycone
7-Deoxydoxorubicin aglycon
Doxorubicin 7-deoxyaglycone
7-Deoxy Doxorubicin Aglycone (approxmately)
(+)-4-demethoxyadriamycin hydrochloride
Adriamycin 7-deoxyaglycone
7-Deoxyepirubicin Aglycone
Doxorubicin deoxyaglycone
7-Desoxy-adriamycinon
7-Deoxyadriamycinon
7-DeoxyadriaMycinone
doxorubicin hydrochloride

Chemical & Physical Properties

[ Boiling Point ]:
766.4ºC at 760 mmHg

[ Molecular Formula ]:
C26H27NO10

[ Molecular Weight ]:
513.49300

[ Flash Point ]:
417.3ºC

[ Exact Mass ]:
513.16300

[ PSA ]:
196.84000

[ LogP ]:
0.69300

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
QI9329400
CHEMICAL NAME :
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-7-((3-amino-2,3,6-trideoxy-alpha- L-lyxo- hexopyranosyl)oxy)-9-(hydroxyacetyl)-6,9,11-trihydrox y-, (7S-cis)-, hydrochloride
CAS REGISTRY NUMBER :
64363-63-9
LAST UPDATED :
199410
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C26-H27-N-O10.Cl-H
MOLECULAR WEIGHT :
550.00

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
1 ug/plate
REFERENCE :
ENMUDM Environmental Mutagenesis. (New York, NY) V.1-9, 1979-87. For publisher information, see EMMUEG. Volume(issue)/page/year: 8,797,1986

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • L-lyxo-Hexopyranose,2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-, 1,4-bis(4-nitrobenzoate) (9CI)
  • Idarubicin (hydrochloride)
  • N-((2S,3S,4S,6R)-6-(((2S,4S)-5,12-dihydroxy-2'-methoxy-5',6,11-trioxo-3,4,6,11-tetrahydro-1H-spiro[tetracene-2,4'-[1,3]dioxan]-4-yl)oxy)-3-hydroxy-2-methyltetrahydro-2H-pyran-4-yl)-2,2,2-trifluoroacetamide
  • (2S,3S,4S,6R)-6-(((1S,3S)-3-(2-(formyloxy)acetyl)-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl)oxy)-2-methyl-4-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-3-yl 4-nitrobenzoate

DownStream