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Product Overview

Product Code

TRC-D231265

CAS Number

118267-18-8

Product Format

Neat

Molecular Formula

C40H74N2O15

Molecular Weight

823.02

API Family

Roxithromycin

Product Categories

TRC, Impurity Reference Materials , Macrolides, Pharmaceutical Toxicology Reference Materials , Pharmaceutical Toxicology Reference Materials , Pharmaceutical and veterinary compounds and metabolites Reference Materials , Pharmaceutical and Veterinary Residue Reference Materials

Product Type

Impurity, Metabolite

Purity

>95% (HPLC)

Analytical Method

HPLC, MS, NMR

Documentation

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Product Information

Chemical Data

Analyte Name

N-Demethyl Roxithromycin

CAS Number

118267-18-8

Molecular Formula

C40H74N2O15

Molecular Weight

823.02

Accurate Mass

822.5089

SMILES

CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[C@H](NC)[C@H]3O)[C@](C)(O)C[C@@H](C)\C(=N/OCOCCOC)\[C@H](C)[C@@H](O)[C@]1(C)O

InChI

InChI=1S/C40H74N2O15/c1-14-28-40(10,48)33(44)23(4)30(42-52-20-51-16-15-49-12)21(2)18-38(8,47)35(57-37-31(43)27(41-11)17-22(3)53-37)24(5)32(25(6)36(46)55-28)56-29-19-39(9,50-13)34(45)26(7)54-29/h21-29,31-35,37,41,43-45,47-48H,14-20H2,1-13H3/b42-30-/t21-,22-,23+,24+,25-,26+,27+,28-,29+,31-,32+,33-,34+,35-,37+,38-,39-,40-/m1/s1

Product Data

Storage Temperature

-20°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

API Family

Roxithromycin

Purity

>95% (HPLC)

Analytical Method

HPLC, MS, NMR

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