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Structure

Thiamphenicol palmitate

CAS
52628-58-7
Catalog Number
ACM52628587
Category
Other Products
Molecular Weight
594.6g/mol
Molecular Formula
C28H45Cl2NO6S

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Specification

IUPAC Name
[(1R,2R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-1-(4-methylsulfonylphenyl)propyl] hexadecanoate
Canonical SMILES
CCCCCCCCCCCCCCCC(=O)OC(C1=CC=C(C=C1)S(=O)(=O)C)C(CO)NC(=O)C(Cl)Cl
InChI
InChI=1S/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(33)37-26(24(21-32)31-28(34)27(29)30)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,32H,3-16,21H2,1-2H3,(H,31,34)/t24-,26-/m1/s1
InChI Key
ROGLXKYZAOFGQO-AOYPEHQESA-N
Complexity
751
Covalently-Bonded Unit Count
1
EC Number
258-056-9
Exact Mass
593.234465g/mol
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
2
Heavy Atom Count
38
Monoisotopic Mass
593.234465g/mol
Rotatable Bond Count
22
UNII
T8Q4JN3YKM
XLogP3
7.6
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