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Product Overview

Product Code

TRC-E650035

CAS Number

111321-02-9

Product Format

Neat

Molecular Formula

C37 H68 N2 O13

Molecular Weight

748.94

API Family

Roxithromycin

Product Categories

TRC, Pharmaceutical, Veterinary Compound & Metabolite Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials , Impurity Reference Materials

Product Type

Bioactive small molecule, Impurity, Metabolite

Purity

>95% (HPLC)

Documentation

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Product Information

Chemical Data

Analyte Name

Erythromycin A 9-(E)-oxime

CAS Number

111321-02-9

Molecular Formula

C37 H68 N2 O13

Molecular Weight

748.94

Accurate Mass

748.4721

SMILES

O([C@H]1[C@H](C)[C@@H](O[C@H]2[C@H](O)[C@@H](N(C)C)C[C@@H](C)O2)[C@](C)(O)C[C@@H](C)C(=NO)[C@H](C)[C@@H](O)[C@](C)(O)[C@@H](CC)OC(=O)[C@@H]1C)[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3

InChI

InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27+/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

IUPAC

(3R,4S,5S,6R,7R,9R,10E,11S,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-7,12,13-trihydroxy-10-hydroxyimino-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecan-2-one

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Roxithromycin

Purity

>95% (HPLC)

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Product Overview

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Chemical Data

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(9E)-Erythromycin A Oxime

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