Clarithromycin N-Oxide - CAS 118074-07-0

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Catalog Number: R059016

CAS Number: 118074-07-0

PubChem Substance ID:355155561

Molecular Formula: C38H69NO14

Molecular Weight:763.963

Purity: ≥95%

* For research use only. Not for human or veterinary use.

Synonym

Synonyms6-O-Methylerythromycin N-Oxide; USP Clarithromycin Impurity Q;

Property

Molecular Formula: C38H69NO14
Molecular Weight763.963
Purity≥95%
StorageStore at +4C

Computed Descriptor

IUPAC Name(2S,3R,4S,6R)-2-[[(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-7-methoxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-oxacyclotetradec-6-yl]oxy]-3-hydroxy-N,N,6-trimethyloxan-4-amine oxide
InChIInChI=1S/C38H69NO14/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,48-14)33(53-35-29(41)25(39(11,12)46)16-20(3)49-35)22(5)30(23(6)34(44)51-26)52-27-18-36(8,47-13)32(43)24(7)50-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24+,25+,26-,27+,29-,30+,31-,32+,33-,35+,36-,37-,38-/m1/s1
InChIKeyKDRPFIWYMNONLJ-KCBOHYOISA-N
SMILESCCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)[N+](C)(C)[O-])O)(C)OC)C)C)O)(C)O