Dalbavancin Impurity

Product Name Dalbavancin Impurity
Alternate Names Dalbavancin Impurities, Impurities of Dalbavancin
CAT No. CS-O-07738
CAS No. 102961-72-8
Category Impurities
Stock Enquire
Mol. Wt. 1746.5 g/mol
Mol. For. C83H86Cl2N8O30
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Parent API Dalbavancin
Smileys O[C@H]([C@@H](OC1=C(C([C@@]([H])(C(O)=O)NC([C@]([H])([C@H](O)C2=CC=C(C(Cl)=C2)O3)N4)=O)=CC(O)=C1)C5=CC([C@@]([H])(NC([C@]6([H])NC([C@]([H])(C7=C(Cl)C(O)=CC(OC8=C(O)C=CC([C@H]9NC)=C8)=C7)NC([C@@]([H])(CC(C=C%10)=CC=C%10OC%11=CC6=CC3=C%11O[C@@H]([C@@H]%12NC(CCCCCCC(C)C)=O)O[C@@H]([C@H]([C@@H]%12O)O)C(O)=O)NC9=O)=O)=O)=O)C4=O)=CC=C5O)O[C@@H]%13COC(C)=O)[C@H]([C@@H]%13O)O
Canonical Smiles CC(C)CCCCCCCC(=O)NC1C(C(C(OC1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)C(C6C(=O)NC(C7=C(C(=CC(=C7)O)OC8C(C(C(C(O8)CO)O)O)O)C9=C(C=CC(=C9)C(C(=O)N6)NC(=O)C4NC(=O)C1C2=C(C(=CC(=C2)OC2=C(C=CC(=C2)C(C(=O)NC(CC2=CC=C(O3)C=C2)C(=O)N1)N(C)C)O)O)Cl)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O.Cl
InchIKey SNSXACHJXZAERT-UHFFFAOYSA-N
Inchl InChI=1S/C88H100Cl2N10O28.ClH/c1-38(2)13-10-8-7-9-11-14-61(106)93-69-73(109)75(111)78(86(120)121)128-87(69)127-77-58-31-43-32-59(77)124-55-24-19-42(29-50(55)89)71(107)68-84(118)97-66(80(114)91-25-12-26-99(3)4)48-33-44(102)34-57(125-88-76(112)74(110)72(108)60(37-101)126-88)62(48)47-28-40(17-22-52(47)103)64(81(115)98-68)94-82(116)65(43)95-83(117)67-49-35-46(36-54(105)63(49)90)123-56-30-41(18-23-53(56)104)70(100(5)6)85(119)92-51(79(113)96-67)27-39-15-20-45(122-58)21-16-39;/h15-24,28-36,38,51,60,64-76,78,87-88,101-105,107-112H,7-14,25-27,37H2,1-6H3,(H,91,114)(H,92,119)(H,93,106)(H,94,116)(H,95,117)(H,96,113)(H,97,118)(H,98,115)(H,120,121);1H
IUPAC 6-[[5,32-dichloro-22-(dimethylamino)-52-[3-(dimethylamino)propylcarbamoyl]-2,26,31,44,49-pentahydroxy-21,35,38,54,56,59-hexaoxo-47-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7,13,28-trioxa-20,36,39,53,55,58-hexazaundecacyclo[38.14.2.23,6.214,17.219,34.18,12.123,27.129,33.141,45.010,37.046,51]hexahexaconta-3,5,8,10,12(64),14(63),15,17(62),23(61),24,26,29(60),30,32,41(57),42,44,46(51),47,49,65-henicosaen-64-yl]oxy]-3,4-dihydroxy-5-(9-methyldecanoylamino)oxane-2-carboxylic acid;hydrochloride
Controlled No
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Related Compounds

Dalbavancin A0 | Dalbavancin 9-Methyldecane Carboxylic Acid | Dalbavancin Impurity-1 | Dalbavancin Impurity-3 | Dalbavancin 11-Methyldodecane Carboxylic Acid | Dalbavancin Impurity-2 | Dalbavancin B2 | Dalbavancin Undecane Carboxylic Acid | Dalbavancin B1 | Dalbavancin Decane Carboxylic Acid | Dalbavancin A1 |

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