3'-N-[[4-(Acetylamino)phenyl]sulfonyl]-3'-N-demethyl Azithromycin-d4

CAS: 612069-30-4

Ref. TR-A168297

Product Information

• Name: 3'-N-[[4-(Acetylamino)phenyl]sulfonyl]-3'-N-demethyl Azithromycin-d4
• Synonyms: (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-11-[[3-[[[4-(Acetylamino)phenyl]sulfonyl]methylamino]-3,4,6-trideoxy-β-D-xylo-hexopyranosyl]oxy]-13-[(2,6-dideoxy-3-C-methyl-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-1-oxa-6-azacyclopentadecan-15-one-d4, Azithromycin Impurity H-d4
• CAS: 612069-30-4

Description

Applications Labelled 3'-N-[[4-(acetylamino)phenyl]sulfonyl]-3'-N-demethyl Azithromycin, an impurity of Azithromycin (A927000).
References Debremaeker, D. et al.: Rap. Comm. Mass. Spec., 17, 342 (2003);

• Brand: TRC

Chemical properties

• Molecular weight: 936.194
• Formula: C₄₅H₇₃D₄N₃O₁₅S
• Color/Form: Neat
• InChI: InChI=1S/C45H77N3O15S/c1-15-34-45(11,55)38(51)28(6)47(12)23-24(2)21-43(9,54)40(26(4)37(27(5)41(53)61-34)62-35-22-44(10,58-14)39(52)29(7)60-35)63-42-36(50)33(20-25(3)59-42)48(13)64(56,57)32-18-16-31(17-19-32)46-30(8)49/h16-19,24-29,33-40,42,50-52,54-55H,15,20-23H2,1-14H3,(H,46,49)/t24-,25-,26+,27-,28-,29+,33+,34-,35+,36-,37+,38-,39+,40-,42+,43-,44-,45-/m1/s1/i16D,17D,18D,19D
• InChI key: InChIKey=UXWVLGKGQGGAID-UOWGCYRQSA-N
• SMILES: [2H]c1c([2H])c(S(=O)(=O)N(C)[C@H]2C[C@@H](C)O[C@@H](O[C@@H]3[C@@H](C)[C@H](O[C@H]4C[C@@](C)(OC)[C@@H](O)[C@H](C)O4)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@H](O)[C@@H](C)N(C)C[C@H](C)C[C@@]3(C)O)[C@@H]2O)c([2H])c([2H])c1NC(C)=O