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Novobiocin Sodium Salt

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Novobiocin Sodium Salt / CAS : 1476-53-5

Appearance white to faintly beige solid UN 0.0
HS 29420000 DG Class 0.0
Synonyms Benzamide,N-[7-[[3-O-(Aminocarbonyl)-6-Deoxy-5-C-Methyl-4-O-Methyl-A-L-Lyxo-Hexopyranosyl]Oxy]-4-Hydroxy-8-Methyl-2-Oxo-2H-1-Benzopyran-3-Yl]-4-Hydroxy-3-(3-Methyl-2-Buten-1-Yl)-,Sodium Salt (1:1); Benzamide,N-[7-[[3-O-(Aminocarbonyl)-6-Deoxy-5-C-Methyl-4-O-Methyl-A-L-Lyxo-Hexopyranosyl]Oxy]...; Benzamide,N-[7-[[3-O-(Aminocarbonyl)-6-Deoxy-5-C-Methyl-4-O-Methyl-A-L-Lyxo-Hexopyranosyl]Oxy]-4-Hydroxy-8-Methyl-2-Oxo-2H-1-; Novobiocin Sodium; Crystallinic Acid Monosodium Salt
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Properties

Summary

Formula
C31H35N2NaO11
Molecular Mass
634.60600
Exact Mass
634.21400
PSA
202.84000
Logp
4.83860
IUPAC
sodium;4-[[7-(4-carbamoyloxy-3-hydroxy-5-methoxy-6,6-dimethyloxan-2-yl)oxy-4-hydroxy-8-methyl-2-oxochromen-3-yl]carbamoyl]-2-(3-methylbut-2-enyl)phenolate
SMILES
CC1=C(C=CC2=C1OC(=O)C(=C2O)NC(=O)C3=CC(=C(C=C3)[O-])CC=C(C)C)O[C@@H]4[C@H]([C@@H]([C@@H](C(O4)(C)C)OC)OC(=O)N)O.[Na+]

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Intermediates
Surfactants, Catalysts > Surface Active Agent
Auxiliary > Other Auxiliary Agent

Chemical and Physical Properties

Melting Point
215-220ºC
Density
1.42g/cm3
Boiling Point
848.2ºC at 760mmHg
Flash Point
466.8ºC
Appearance
white to faintly beige solid
Acidity and Basicity
alkalinity

Export information

HS Code
29420000
Export Rebate
13%
UN No.
0.0
DG-Class
0.0
Risk Code
R43-36-36/37/38-20/21/22
Safety Label
Xi,Xn

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