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Aclacinomycin A

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Aclacinomycin A / CAS : 57576-44-0

Appearance Yellow powder UN 3249
HS 29329990 DG Class 6.1(a)
Synonyms Aclacur; Aclarublcin; Aclacin; Jaclacin; Acm; Aclarubicin; Aelacinon; Ma144-A1; Aclaplastin; Aclarubicine; Aclarubicinum
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Properties

Summary

Formula
C42H53NO15
Molecular Mass
811.86800
Exact Mass
811.34200
PSA
217.05000
Logp
3.15770
IUPAC
methyl (1R,2R,4S)-4-[(2R,4S,5S,6S)-4-(dimethylamino)-5-[(2S,4S,5S,6S)-4-hydroxy-6-methyl-5-[(2R,6S)-6-methyl-5-oxooxan-2-yl]oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-3,4-dihydro-1H-tetracene-1-carboxylate
SMILES
CC[C@]1(C[C@@H](C2=C(C3=C(C=C2[C@H]1C(=O)OC)C(=O)C4=C(C3=O)C(=CC=C4)O)O)O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O[C@H]6C[C@@H](C([C@@H](O6)C)O[C@H]7CCC(=O)[C@@H](O7)C)O)N(C)C)O

Attribute classification

Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials

Chemical and Physical Properties

Melting Point
151-153ºC
Density
1.42 g/cm3
Boiling Point
897.7ºC
Flash Point
496.7ºC
Appearance
Yellow powder
Acidity and Basicity
acidness

Export information

HS Code
29329990
Export Rebate
13%
UN No.
3249
DG-Class
6.1(a)
Risk Code
R25
Safety Label
T

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