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Valrubicin

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Valrubicin / CAS : 56124-62-0

Appearance solid UN -
HS 29329990 DG Class -
Synonyms Ad32; Vinorelbine (Bicins ); Valstar; N-Trifluoroacetyladriamycin-14-Valerate; Trifluoroacetyl-Adriamyci14-Valerate; N-Trifluoroacetyldoxorubicin-14-Valerate; N-(Trifluoroacetyl)Adriamycin 14-Valerate (Ad 32); Antibioticad32; Antibiotic Ad 32
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Properties

Summary

Formula
C34H36F3NO13
Molecular Mass
723.64400
Exact Mass
723.21400
PSA
215.22000
Logp
2.85310
IUPAC
[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
SMILES
CCCCC(=O)OCC(=O)[C@]1(C[C@@H](C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
116-117ºC
Density
1.54 g/cm3
Boiling Point
867.7ºC
Flash Point
478.6ºC
Appearance
solid
Acidity and Basicity
acidness

Export information

HS Code
29329990
Export Rebate
13%
Risk Code
R36/37/38
Safety Label
Xi

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