Oritavancin Impurity 4

CAT No.

ALN-O026013

CAS No.

179530-89-3

Mol. F.

C99H106Cl4N10O26

Mol. Wt.

1993.8

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Product Overview

Technical Data

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Product Overview

Chemical Name : Vancomycin, 22-O-(3-amino-2,3,6-trideoxy-3-C-methyl-Î±-L-arabinohexopyranosyl)-N3â€, 56-bis[(4â€™-chloro[1,1â€™-biphenyl]-4-yl)methyl]-,(4â€R)- (9CI)

Smiles : O[C@@H]1[C@@H](O[C@@](O[C@@H](C)[C@@H]2O)([H])C[C@]2(C)NCC3=CC=C(C4=CC=C(Cl)C=C4)C=C3)[C@@H](O[C@H](CO)[C@H]1O)OC5=C(OC6=CC=C([C@H]([C@H]7NC([C@@H](CC(C)C)N(C)CC8=CC=C(C9=CC=C(Cl)C=C9)C=C8)=O)O)C=C6Cl)C=C([C@](NC([C@@H](NC7=O)CC(N)=O)=O)([H])C(N[C@](C%10=O)([H])C%11=CC%12=C(O)C=C%11)=O)C=C5OC%13=CC=C([C@H]([C@](C(N[C@@](C(O)=O)([H])C%14=C%12C(O)=CC(O)=C%14)=O)([H])N%10)O[C@@](O[C@@H](C)[C@@H]%15O)([H])C[C@@]%15(N)C)C=C%13Cl

Inchi : InChI=1S/C99H106Cl4N10O26/c1-44(2)30-64(105-7)90(124)112-80-82(119)54-21-28-68(62(102)32-54)134-70-34-56-35-71(86(70)139-97-87(84(121)83(120)72(43-114)136-97)138-75-40-99(6,89(123)46(4)133-75)107-42-48-10-14-50(15-11-48)52-18-25-58(101)26-19-52)135-69-29-22-55(33-63(69)103)85(137-74-39-98(5,88(122)45(3)132-74)106-41-47-8-12-49(13-9-47)51-16-23-57(100)24-17-51)81-95(129)111-79(96(130)131)61-36-59(115)37-67(117)76(61)60-31-53(20-27-66(60)116)77(92(126)113-81)110-93(127)78(56)109-91(125)65(38-73(104)118)108-94(80)128/h8-29,31-37,44-46,64-65,72,74-75,77-85,87-89,97,105-107,114-117,119-123H,30,38-43H2,1-7H3,(H2,104,118)(H,108,128)(H,109,125)(H,110,127)(H,111,129)(H,112,124)(H,113,126)(H,130,131)/t45-,46-,64+,65-,72+,74-,75-,77+,78+,79-,80+,81-,82+,83+,84-,85+,87+,88-,89-,97-,98-,99-/m0/s1

Technical Data