Valrubicin

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Names

[ CAS No. ]:
56124-62-0

[ Name ]:
Valrubicin

[Synonym ]:
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate
Valrubicin
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
Vinorelbine (BICINS )
N-trifluoroacetyladriamycin-14-valerate
Pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester
trifluoroacetyl-adriamyci14-valerate
N-(trifluoroacetyl)adriamycin 14-valerate (AD 32)
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl valerate
N-Trifluoroacetyldoxorubicin 14-valerate
ad32
N-Trifluoroacetyladriamycin 14-valerate
Valstar
(2S-cis)-Pentanoic Acid 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-a-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl Ester
N-trifluoroacetyldoxorubicin-14-valerate
antibioticad32

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Boiling Point ]:
867.7±65.0 °C at 760 mmHg

[ Melting Point ]:
116-117ºC

[ Molecular Formula ]:
C34H36F3NO13

[ Molecular Weight ]:
723.644

[ Flash Point ]:
478.6±34.3 °C

[ Exact Mass ]:
723.213867

[ PSA ]:
215.22000

[ LogP ]:
6.31

[ Vapour Pressure ]:
0.0±0.3 mmHg at 25°C

[ Index of Refraction ]:
1.619

[ Storage condition ]:
2-8℃

[ Water Solubility ]:
insoluble

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AV9850000
CHEMICAL NAME :
Adriamycin, trifluoroacetyl-, 14-valerate
CAS REGISTRY NUMBER :
56124-62-0
LAST UPDATED :
199512
DATA ITEMS CITED :
13
MOLECULAR FORMULA :
C34-H36-F3-N-O13
MOLECULAR WEIGHT :
723.71
WISWESSER LINE NOTATION :
L E6 C666 BV MVT&&&J DQ HV1Q HOVXFFF KOV4 RO1 FO- BT6OTJ DZ EQ F1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
109 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
480 mg/kg/4D-I
TOXIC EFFECTS :
Related to Chronic Data - death
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - hamster
DOSE/DURATION :
360 mg/kg/4W-I
TOXIC EFFECTS :
Cardiac - cardiomyopathy including infarction Related to Chronic Data - death
TYPE OF TEST :
DNA damage

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
14 umol/L
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 32,331,1980

Safety Information

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
26-37/39

[ RIDADR ]:
NONH for all modes of transport

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • N-Trifluoroacetyldoxorubicin
  • Vinyl valerate

DownStream

Related Compounds

  • Valrubicin impurity,doxorubicinone valerate [USP]