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AG008TKA

114899-77-3 | ecteinascidin 743

Chemical structure of ecteinascidin 743, CAS 114899-77-3
AG008TKA
sdsSDS
sdsCOA
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CAS Number 114899-77-3
Catalog Number AG008TKA(AGN-PC-0P6WIY)
Chemical Name ecteinascidin 743
IUPAC Name [(1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxospiro[17,19,28-trioxa-24-thia-13,30-diazaheptacyclo[12.9.6.13,11.02,13.04,9.015,23.016,20]triaconta-4(9),5,7,15,20,22-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-22-yl] acetate
InChI InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22-,23-,29+,30+,36+,37-,39+/m0/s1
InChI Key PKVRCIRHQMSYJX-AIFWHQITSA-N
MDL Number MFCD00874849
Molecular Formula C39H43N3O11S
Molecular Weight 761.8372
SMILES O[C@@H]([C@@]1([H])N(C)[C@]2([H])C3=C(C=C(C)C(OC)=C3O)C1)N4[C@@]2([H])[C@@](SC[C@@]5(NCC6)C7=C6C=C(O)C(OC)=C7)([H])C8=C(C(OCO9)=C9C(C)=C8OC(C)=O)[C@]4([H])COC5=O
UNII ID0YZQ2TCP
Synonyms
ecteinascidin 743, ET 743, ET-743, ET743, NSC 684766, trabectedin, Yondelis, Trabectedin, Ecteinascidin, Yondelis, ecteinascidin 743, ET-743, 114899-77-3, Ecteinascidine 743, Ect 743, UNII-ID0YZQ2TCP, ET743, ID0YZQ2TCP, Et 743, NSC 648766, NSC 684766, CHEBI:84050, DSSTox_CID_26880, DSSTox_RID_81984, DSSTox_GSID_46880, (1'R,6R,6aR,7R,13S,14S,16R)-6',8,14-Trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydrospiro(6,16-(epithiopropanooxymethano)-7,13-imino-6aH-1,3-dioxolo(7,8)isoquino(3,2-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-5-yl acetate, Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 3',4',6,6a,7,13,14,16-octahydro-5-(acetyloxy)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (6R-(6-alpha,6a-beta,7-beta,13-beta,14-beta,16-alpha,20R*))-, Spiro(6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo(7,8)isoquino(3,2,-b)(3)benzazocine-20,1'(2'H)-isoquinolin)-19-one, 5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-, (1'R,6R,6aR,7R,13S,14S,16R)-, Trabectedin [INN], CAS-114899-77-3, Trabectedin [USAN:INN:BAN], CCRIS 8133, C39H43N3O11S, NCGC00181159-01, NCGC00181159-02, AC1L33FK, CHEMBL450449, GTPL2774, DTXSID2046880, SCHEMBL12119916, PKVRCIRHQMSYJX-AIFWHQITSA-N, Tox21_112762, Tox21_113236, ZINC150338708, AN-5365, CS-1608, DB05109, NSC-684766, AC-27767, Ecteinascidin 743;ET-743;Ecteinascidin, HY-50936, LS-146121, X5006, Z-3121, 87541-EP2298780A1, 87541-EP2305689A1, Ecteinascidin 743|||ET-743|||Yondelis|||NSC-684766, (1R,2R,3R,11S,12S,14R,26R)-5,6',12-trihydroxy-6,7'-dimethoxy-7,21,30-trimethyl-27-oxo-3',4'-dihydro-2'H-17,19,28-trioxa-24-thia-13,30-diazaspiro[heptacyclo[12.9.6.1;{3,11}.0;{2,13}.0;{4,9}.0;{15,23}.0;{16,20}]triacontane-26,1'-isoquinoline]-4(9),5,7,15(23),16(20),21-hexaen-22-yl acetate, (6R,6aR,7R,13S,14S,16R,20R)-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-19-oxo-3',4',6,7,12,13,14,16-octahydro-2'H,6aH-spiro[7,13-epimino-6,16-(epithiopropanooxymethano)[1,3]dioxolo[7,8]isoquinolino[3,2-b][3]benzazocine-20,1'-isoquinolin]-5-yl acetate, ecteinascidine, rabectedin, Yondelis (TN), Ecteinascidin-743, D03RTK, CID108150, ACN-046783, C39-H43-N3-O11-S, CS-O-31170, C099150, D000077606, Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1'(2'H)-isoquinolin]-19-one,5-(acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-d,

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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