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AG01EACQ

560130-42-9 | N3′′-[2-(Decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]vancomycin hydrochloride

Chemical structure of N3′′-[2-(Decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]vancomycin hydrochloride, CAS 560130-42-9
AG01EACQ
sdsSDS
sdsCOA

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CAS Number 560130-42-9
Catalog Number AG01EACQ
Chemical Name N3′′-[2-(Decylamino)ethyl]-29-[[(phosphonomethyl)amino]methyl]vancomycin hydrochloride
IUPAC Name (1S,2R,18R,19R,22S,25R,28R,40S)-22-(2-amino-2-oxoethyl)-5,15-dichloro-48-[(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-[2-(decylamino)ethylamino]-5-hydroxy-4,6-dimethyloxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,18,32,35,37-pentahydroxy-19-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-20,23,26,42,44-pentaoxo-36-[(phosphonomethylamino)methyl]-7,13-dioxa-21,24,27,41,43-pentazaoctacyclo[26.14.2.23,6.214,17.18,12.129,33.010,25.034,39]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid;hydrochloride
InChI InChI=1S/C80H106Cl2N11O27P.ClH/c1-7-8-9-10-11-12-13-14-21-85-22-23-87-80(5)32-57(115-37(4)71(80)103)119-70-68(102)67(101)55(34-94)118-79(70)120-69-53-28-41-29-54(69)117-52-20-17-40(27-46(52)82)65(99)63-77(109)91-61(78(110)111)43-30-50(96)44(33-86-35-121(112,113)114)66(100)58(43)42-25-38(15-18-49(42)95)59(74(106)93-63)90-75(107)60(41)89-73(105)48(31-56(83)97)88-76(108)62(92-72(104)47(84-6)24-36(2)3)64(98)39-16-19-51(116-53)45(81)26-39;/h15-20,25-30,36-37,47-48,55,57,59-65,67-68,70-71,79,84-87,94-96,98-103H,7-14,21-24,31-35H2,1-6H3,(H2,83,97)(H,88,108)(H,89,105)(H,90,107)(H,91,109)(H,92,104)(H,93,106)(H,110,111)(H2,112,113,114);1H/t37-,47+,48-,55+,57-,59+,60+,61-,62+,63-,64+,65+,67+,68-,70+,71+,79-,80-;/m0./s1
InChI Key GSSIWSIRBWAZHG-ACOPVEIWSA-N
MDL Number MFCD22572780
Molecular Formula C80H107Cl3N11O27P
Molecular Weight 1792.0958
SMILES O(C=1C2=CC3=CC1OC=4C(Cl)=CC(=CC4)[C@@H](O)[C@@H](NC([C@@H](CC(C)C)NC)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@]3(C(=O)N[C@@]5(C=6C=C(C=7C([C@@H](C(O)=O)NC(=O)[C@]([C@H](O)C=8C=C(Cl)C(O2)=CC8)(NC5=O)[H])=CC(O)=C(CNCP(=O)(O)O)C7O)C(O)=CC6)[H])[H])[C@H]9[C@H](O[C@H]%10C[C@@](NCCNCCCCCCCCCC)(C)[C@H](O)[C@H](C)O%10)[C@@H](O)[C@H](O)[C@@H](CO)O9.Cl
UNII 0701472ZG0
Synonyms
TD 6424, TD-6424, TD6424, telavancin, telavancin hydrochloride, Vibativ, Vibativ, Telavancin Hydrochloride, Td 6424, 560130-42-9, TD-6424, UNII-0701472ZG0, Telavancin hydrochloride [USAN], 0701472ZG0, Telavancin hydrochloride (USAN), Telavancin HCl, Vibativ (TN), CHEMBL3301680, CHEBI:71226, D06057, Vancomycin, N3'-(2-(decylamino)ethyl)-29-(((phosphonomethyl)amino)methyl)-, monohydrochloride, Telavancin, Arbelic, D02IJB, SIB-1533A, TD6424, Telavancin Hydrochloride [USAN:INN], CID9812715, C487637, (3S,6R,7R,22R,23S,26S,36R,38aR)-3-(2-Amino-2-oxoethyl)-10,19-dichloro-44-((2-O-(3-((2-(decylamino)ethyl)amino)-3-C-methyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl)oxy)-7,22,28,30,32-pentahydroxy-6-(((2R)-4-methyl-2-(methylamino)pentanoyl)amino)-2,5,24,38,39-pentaoxo-29-(((phosphonomethyl)amino)methyl)-2,3,4,5,6,7,23,24,25,26,36,37,38,38a-tetradecahydro-8,11:18,21-dietheno-23,36-(iminomethano)-22H-13,16:31,35-dimetheno-1H,13H-(1,6,9)oxadiazacyclohexadecino(4,5-m)(10,2,16)benzoxadiazacyclotetracosine-26-carboxylic acid monohydrochloride, 372151-71-8,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Test: Result:
    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited