trabectedin (Q2637746)

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chemical compound
  • ecteinascidin 743
  • ET-743
  • Yondelis®
  • Ect 743
  • ET743
  • Ecteinascidin
  • Ecteinascidin 743
  • Trabectedin
  • ecteinascidin
edit
Language Label Description Also known as
English
trabectedin
chemical compound
  • ecteinascidin 743
  • ET-743
  • Yondelis®
  • Ect 743
  • ET743
  • Ecteinascidin
  • Ecteinascidin 743
  • Trabectedin
  • ecteinascidin

Statements

has use
medication
0 references
mass
761.262 dalton
1 reference
stated in
PubChem
PubChem CID
108150
language of work or name
English
title
Trabectedin (English)
retrieved
18 November 2016
761.261830196 dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₃₉H₄₃N₃O₁₁S
1 reference
stated in
PubChem
PubChem CID
108150
language of work or name
English
title
Trabectedin (English)
retrieved
18 November 2016
canonical SMILES
CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
1 reference
stated in
PubChem
PubChem CID
108150
language of work or name
English
title
Trabectedin (English)
retrieved
18 November 2016
O=C(OC=1C(=C2OCOC2=C3C1C4SCC5(NCCC6=CC(O)=C(OC)C=C65)C(=O)OCC3N7C(O)C8N(C)C(C9=C(O)C(OC)=C(C=C9C8)C)C74)C)C
0 references
isomeric SMILES
CC1=C(C(=C2[C@@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H]([C@@H](N3C)CC2=C1)O)COC(=O)[C@@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC
1 reference
stated in
PubChem
PubChem CID
108150
language of work or name
English
title
Trabectedin (English)
retrieved
18 November 2016
COc1cc2c(cc1O)CCN[C@@]21CS[C@@H]2c3c(OC(C)=O)c(C)c4c(c3[C@H](COC1=O)N1[C@@H](O)[C@@H]3Cc5cc(C)c(OC)c(O)c5[C@H]([C@H]21)N3C)OCO4
0 references

Identifiers

Reaxys registry number
7617615
1 reference
stated in
ChEBI
ChEBI ID
84050
language of work or name
English
title
trabectedin (English)
retrieved
19 October 2016
LiverTox ID
Trabectedin
0 references
EC number
695-026-8
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.223.368
retrieved
27 December 2018
title
(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(9),5,7,15(23),16(20),21-hexaen-22-yl acetate (English)
quotation
CAS no.: 114899-77-3 (English)
ECHA Substance Infocard ID
100.223.368
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.223.368
retrieved
27 December 2018
title
(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(9),5,7,15(23),16(20),21-hexaen-22-yl acetate (English)
quotation
CAS no.: 114899-77-3 (English)
KEGG ID
D06199
1 reference
stated in
ChEBI
ChEBI ID
84050
language of work or name
English
title
trabectedin (English)
retrieved
19 October 2016
C16875
1 reference
stated in
ChEBI
ChEBI ID
84050
language of work or name
English
title
trabectedin (English)
retrieved
19 October 2016
PDB ligand ID
ECT
0 references
 
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