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N-DesmethylClarithromycin

N-DesmethylClarithromycin structure

CAS No:
101666-68-6
Formula:
C37H67NO13
Chemical Name:
N-DesmethylClarithromycin
Synonyms:
N-Desmethyl Clarithromycin;Clarithromycin Impurity D (10 mg) (N-desmethyl clarithromycin);3"-N-DeMethylclarithroMycin;N-DeMethyl-6-O-MethylerythroMycin;Clarithromycin EP Impurity D;3″-N-Demethyl-6-O-methylerythromycin A;Clarithromycin Impurity 1(Clarithromycin EP Impurity D);(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-12,13-dihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-7-methoxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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N-DesmethylClarithromycin Basic Attributes

Molecular Weight：

733.93

Exact Mass：

733.46124119

DSSTox ID：

DTXSID10454111

Characteristics

PSA：

191.70000

XLogP3：

2.48840

Density：

1.18±0.1 g/cm3

Melting Point：

121-1230C

Boiling Point：

804.5±65.0 °C(Predicted)

PKA：

13.08±0.70

Collision Cross Section：

263.18 Å² [M+H]+

N-DesmethylClarithromycin Use and Manufacturing

N-Desmethyl Clarithromycin is a metabolite of Clarithromycin (C559750).

Computed Properties

Molecular Weight:733.9
XLogP3:2.7
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:8
Exact Mass:733.46124119
Monoisotopic Mass:733.46124119
Topological Polar Surface Area:192
Heavy Atom Count:51
Complexity:1160
Defined Atom Stereocenter Count:18
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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N-Desmethyl Clarithromycin

CAS No.: 101666-68-6

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Guide of N-DesmethylClarithromycin

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Characteristics
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Computed Properties
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