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AG0094D8

102961-72-8 | Dalbavancin IMpurity - A40926-B0

Chemical structure of Dalbavancin IMpurity - A40926-B0, CAS 102961-72-8
AG0094D8
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CAS Number 102961-72-8
Catalog Number AG0094D8(AGN-PC-0ORYSM)
Chemical Name Dalbavancin IMpurity - A40926-B0
IUPAC Name 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
InChI 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
InChI Key SNSXACHJXZAERT-UHFFFAOYSA-N
MDL Number MFCD00871897
Molecular Formula C83H88Cl2N8O29
Molecular Weight 1732.5290
SMILES C1C=C2OC3C(OC4C(NC(=O)CCCCCCCCC(C)C)C(O)C(O)C(C(O)=O)O4)=C4OC5C=CC(CC6NC(=O)C(C7C=CC(O)=C(OC8=CC(=C(Cl)C(O)=C8)C(NC6=O)C(=O)NC(C(=C4)C=3)C(=O)NC3C(=O)NC(C(=O)NC(C(O)=O)C4C=C(O)C=C(OC6OC(CO)C(O)C(O)C6O)C=4C4=C(O)C=CC3=C4)C(O)C=1C=C2Cl)C=7)NC)=CC=5
Synonyms
A 40926, A-40926, A40926, MDL 62,476, MDL 62476, MDL-62,476, MDL-62476, A-40926, CID 122177137, 102961-72-8,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
    		Product ID:
    Manufacture Date:
    Storage Temperature:
    Formula:
    Molecular Weight:
    Quantity:
    Analysis Data:
    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited