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Salmeterol Dimer Impurity (Mixture of Diastereomers) - CAS 1391051-88-9

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Catalog Number: R058258

CAS Number: 1391051-88-9

PubChem Substance ID:355201381

Molecular Formula: C50H72N2O7

Molecular Weight:813.133

Purity: ≥95%

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Synonym

Synonyms1-[4-Hydroxy-3-[[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl][6-(4-phenylbutoxy)hexyl]amino]methyl]phenyl]2-[[6-(4-phenylbutoxy)hexyl]amino]ethanol; Salmeterol EP Impurity G;

Property

Molecular Formula: C50H72N2O7
Molecular Weight813.133
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name2-[[[2-hydroxy-2-[4-hydroxy-3-(hydroxymethyl)phenyl]ethyl]-[6-(4-phenylbutoxy)hexyl]amino]methyl]-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
InChIInChI=1S/C50H72N2O7/c53-40-46-35-43(27-28-47(46)54)50(57)39-52(30-14-2-4-16-32-59-34-18-12-24-42-21-9-6-10-22-42)38-45-26-25-44(36-48(45)55)49(56)37-51-29-13-1-3-15-31-58-33-17-11-23-41-19-7-5-8-20-41/h5-10,19-22,25-28,35-36,49-51,53-57H,1-4,11-18,23-24,29-34,37-40H2
InChIKeyDJQSLAMRWZOBFB-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)CCCCOCCCCCCNCC(C2=CC(=C(C=C2)CN(CCCCCCOCCCCC3=CC=CC=C3)CC(C4=CC(=C(C=C4)O)CO)O)O)O