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AG00DEBH

56124-62-0 | Valrubicin

56124-62-0
AG00DEBH
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CAS Number 56124-62-0
Catalog Number AG00DEBH(AGN-PC-00P4RN)
Chemical Name Valrubicin
IUPAC Name [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
InChI InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1
InChI Key ZOCKGBMQLCSHFP-KQRAQHLDSA-N
MDL Number MFCD01939322
Molecular Formula C34H36F3NO13
Molecular Weight 723.6437
SMILES CCCCC(OCC([C@]1(O)CC2=C(C(O)=C3C(C4=C(C(C3=C2O)=O)C=CC=C4OC)=O)[C@@H](O[C@H]5C[C@H](NC(C(F)(F)F)=O)[C@H](O)[C@H](C)O5)C1)=O)=O
UNII 2C6NUM6878
Synonyms
AD 32, AD-32, N-trifluoroacetyladriamycin 14-valerate, NSC-246131, valrubicin, Valstar, Valtaxin, Valrubicin, 56124-62-0, AD-32, Valstar, UNII-2C6NUM6878, Antibiotic AD 32, Valtaxin, N-Trifluoroacetyladriamycin-14-valerate, 2C6NUM6878, NSC-246131, AD 32, Valstar Preservative Free, N-Trifluoroacetyldoxorubicin 14-valerate, HSDB 7288, C34H36F3NO13, Trifluoroacetyladriamycin-14-valerate, NSC 246131, Valrubicina, Valrubicine, Valrubicinum, Valrubicin [USAN:USP:INN], NSC246131, NCGC00164738-01, (2S-cis)-Pentanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphth acenyl)-2-oxoethyl ester, Adriamycin, trifluoroacetyl-, 14-valerate, Valrubicin (AD-32), AC1L9RHG, DSSTox_CID_26497, DSSTox_RID_81666, DSSTox_GSID_46497, SCHEMBL12824, AD32, CHEMBL1096885, DTXSID9046497, AOB2165, EX-A493, CHEBI:135876, (2S-cis)-2-(1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-alpha-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl pentanoate, (8S,10S)-8-Glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-((2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl)oxy)-5,12-naphthacenedione 8(sup 2)-valerate, Pentanoic acid, 2-((2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetylamino)-, alpha-L-lysohexopyranoxyl)oxy)-2-naphthacenyl)-2-oxoethyl ester, Tox21_112257, ZINC49783788, CS-2929, DB00385, HY-13772, CAS-56124-62-0, FT-0655298, D02697, Z-3187, 124V620, Q-101408, (2S-cis)-Pentanoic acid, 2-(1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-((2,3,6-trideoxy-3-((trifluoroacetyl)amino)-.alpha.-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl ester, (8S, 10S)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-alpha-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione 8(2)-valerate, [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate, [2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate, 2-oxo-2-((2S,4S)-2,5,12-trihydroxy-4-((2R,4S,5S,6S)-5-hydroxy-6-methyl-4-(2,2,2-trifluoroacetamido)tetrahydro-2H-pyran-2-yloxy)-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-2-yl)ethyl pentanoate, 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate, Valstar (TN), Valrubicin [USAN], Valrubicin (USP/INN), N-Trifluoroacetyladriamycin 14-valerate, CID454216, ACN-036870, C34-H36-F3-N-O13, B3447, C016163, Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-.alpha.-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-,

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