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AG001XST

168110-44-9 | FR179642

Chemical structure of FR179642, CAS 168110-44-9
AG001XST
sdsSDS
sdsCOA

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CAS Number 168110-44-9
Catalog Number AG001XST(AGN-PC-0Q97YB)
Chemical Name FR179642
IUPAC Name [5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-18-amino-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
InChI InChI=1S/C35H52N8O20S/c1-11-9-43-25(26(11)50)33(57)41-31(55)19(48)7-15(36)29(53)38-22(12(2)44)34(58)42-10-14(45)6-16(42)30(54)40-24(32(56)39-23(35(43)59)18(47)8-21(37)49)28(52)27(51)13-3-4-17(46)20(5-13)63-64(60,61)62/h3-5,11-12,14-16,18-19,22-28,31,44-48,50-52,55H,6-10,36H2,1-2H3,(H2,37,49)(H,38,53)(H,39,56)(H,40,54)(H,41,57)(H,60,61,62)/t11-,12+,14+,15-,16-,18+,19+,22-,23-,24-,25-,26-,27-,28-,31+/m0/s1
InChI Key QCYMOOBOFFUBHZ-CPYYHODSSA-N
MDL Number MFCD30478434
Molecular Formula C35H52N8O20S
Molecular Weight 936.8940
SMILES O=C1N2[C@@]([C@@H](O)[C@@H](C)C2)(C(=O)N[C@H](O)[C@H](O)C[C@H](N)C(=O)N[C@@]([C@@H](C)O)(C(=O)N3[C@](C(=O)N[C@@]([C@@H]([C@@H](O)C4=CC(OS(=O)(=O)O)=C(O)C=C4)O)(C(=O)N[C@]1([C@@H](CC(N)=O)O)[H])[H])(C[C@@H](O)C3)[H])[H])[H]
UNII 44677O2TDO
Synonyms
168110-44-9, UNII-44677O2TDO, FR-179642, 44677O2TDO, FR179642, Pneumocandin M1, QCYMOOBOFFUBHZ-CPYYHODSSA-N, SCHEMBL14515067, Micafungin FR-179642 impurity, EX-A2749, AKOS030524387, ZINC299872166, FR-133303, 1-((4R,5R)-4,5-Dihydroxy-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)pneumocandin A0, 5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-Amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)-2-hydroxyphenyl hydrogen sulfate, Pneumocandin A0, 1-((4R,5R)-4,5-dihydroxy-L-ornithine)-4-((4S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)-, Pneumocandin A0, 1-((4R,5R)-4,5-dihydroxy-L-ornithine)-4-((S)-4-hydroxy-4-(4-hydroxy-3-(sulfooxy)phenyl)-L-threonine)-, Micafungin FR-179642, ACN-036880, FR 179642,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
    		Product ID:
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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