Chemical Compound

Trabectedin

CAS Registry Number 114899-77-3
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Trabectedin chemical structure
Primary Record

Trabectedin

In stock
612 g
Purity
98.9 %
CAS
114899-77-3

Compound Identifiers & Properties

CAS
114899-77-3
PubChem CID
108150
SMILES
CC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C(C(=C7C(=C6[C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]8(CS5)C9=CC(=C(C=C9CCN8)O)OC)OCO7)C)OC(=O)C)C(=C1OC)O
Canonical SMILES
COc1cc2c(cc1O)CCN[C@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H]2[C@H]2c3c(cc(C)c(OC)c3O)C[C@@H]([C@@H]1O)N2C)OCO4

Names & Synonyms

  • Trabectedin
  • ecteinascidin 743
  • Yondelis
  • Ecteinascidin
  • trabectedine
  • Trabectedina
  • 114899-77-3
  • ecteinascidine
  • trabectedinum
  • ET-743
  • Trabectedin [INN]
  • Ecteinascidine 743
  • Ecteinascidin-743
  • Ect 743
  • ID0YZQ2TCP
  • Yondelis (TN)
  • Ecteinascidins trabectedin
  • ET743
  • Et 743
  • UNII-ID0YZQ2TCP
  • RefChem:56743
  • DTXSID2046880
  • TRABECTEDIN [JAN]
  • TRABECTEDIN [USAN]
  • D03RTK
  • AC1L33FK
  • Trabectedin [USAN:INN:BAN]
  • CCRIS 8133
  • TRABECTEDIN [MART.]
  • DTXCID0026880
  • TRABECTEDIN [WHO-DD]
  • CHEBI:84050
  • C39H43N3O11S
  • Ecteinascidin 743;ET-743
  • PKVRCIRHQMSYJX-AIFWHQITSA-N
  • TRABECTEDIN [EMA EPAR]
  • CHEMBL450449
  • GTPL2774
  • orb1307653
  • NSC 648766
  • NSC 684766
  • NSC-648766
  • SCHEMBL29366408
  • SCHEMBL29376642
  • L01CX01
  • TRABECTEDIN [ORANGE BOOK]
  • EX-A4317
  • Tox21_112762
  • Tox21_113236
  • CID108150
  • EBC-27453
  • MFCD00874849
  • NSC648766
  • NSC813783
  • AKOS025401985
  • ZINC150338708
  • ACN-046783
  • AN-5365
  • C39-H43-N3-O11-S
  • CID:108150
  • CS-1608
  • DB05109
  • ECTEINASCIDINS TRABECTEDIN [MI]
  • FT28354
  • NSC-684766
  • NSC-813783
  • NCGC00181159-01
  • NCGC00181159-02
  • AC-27767
  • BP-41453
  • Ecteinascidin 743;ET-743;Ecteinascidin
  • HY-50936
  • MS-31361
  • SID:376229526
  • LS-146121
  • CAS-114899-77-3
  • X5006
  • J1.013.169C
  • F81329
  • Z-3121
  • 87541-EP2298780A1
  • 87541-EP2305689A1
  • (1'R,6R,6aR,7R,13S,14S,16R)
  • A936378
  • C099150
  • EN300-19768451
  • Q2637746
  • [(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
  • D000077606
  • B0046-465349
  • Ecteinascidin 743|||ET-743|||Yondelis|||NSC-684766
  • 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*))-
  • (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
  • (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
  • 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)-
  • ((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
  • ((1R,2R,3R,11S,12S,14R,26S)-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
  • (1'R,6R,6aR,7R,13S,14S,16R)-5-(Acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethyl-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
  • (1'R,6R,6aR,7R,13S,14S,16R)-5-(Acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethylspiro[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
  • (1'R,6R,6aR,7R,13S,14S,16R)-5-(Acetyloxy)-3',4',6,6a,7,13,14,16-octahydro-6',8,14-trihydroxy-7',9-dimethoxy-4,10,23-trimethylspiro[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; Ecteinascidin 743; Et 743; NSC 648766; Yondelis;
  • (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-octahydro-2H,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
  • (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
  • (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[12.9.6.13,11.02,13.04,9.015,23.016,20]triacontane-26,1'-isoquinoline]-4,6,8,15,20,22-hexaen-22-yl acetate
  • (1R,5S,6S,7R,11R,14R,14aR)-6,6 ,25-Trihydroxy-7 ,24-dimethoxy-17,18-(methylenedioxy)-19,21,23-trimethyl-20-acetoxy-1,3 ,4,4 ,5,6,7,8,14,14a-decahydrospiro[1,5-epimino-2,3-[1,3]butadieno-7,14-[1,2]benzeno-10H-9-oxa-13-thia-6a-azacyclooctacyclodecene-11(12H),1 (2 H)-isoquinoline]-10-one
  • (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
  • (6S,7S,9R,14R,14aR,15R)-14beta,9beta-[Thiomethylene(6-hydroxy-7-methoxy-1,2,3,4-tetrahydroisoquinoline-1beta,1-diyl)carbonyloxymethylene]-6beta,7,9,14,14aalpha,15beta-hexahydro-1,7alpha-dihydroxy-2-methoxy-3,12,16-trimethyl-10,11-(methylenebisoxy)-13-acetoxy-6,15-epimino-5H-isoquino[3,2-b][3]benzazocine
  • Spiro[6,16-(epithiopropanoxymethano)-7,13-imino-12H-1,3-dioxolo[7,8]isoquino[3,2-b][3]benzazocine-20,1 inverted exclamation marka(2 inverted exclamation markaH)-isoquinolin]-19-one, 5-(acetyloxy)-3 inverted exclamation marka,4 inverted exclamation marka,6,6a,7,13,14,16-octahydro-6 inverted exclamation marka,8,14-trihydroxy-7 inverted exclamation marka,9-dimethoxy-4,10,23-trimethyl-, (1 inverted exclamation markaR,6R,6aR,7R,13S,14S,16
  • 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