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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 13:47, 10 January 2012 (Saving copy of the {{drugbox}} taken from revid 468593418 of page Trabectedin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey', 'CAS_number').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 13:47, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{drugbox}} taken from revid 468593418 of page Trabectedin for the Chem/Drugbox validation project (updated: 'ChEMBL', 'KEGG', 'StdInChI', 'StdInChIKey', 'CAS_number').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{drugbox}}) taken from revid 468593418 of page Trabectedin with values updated to verified values.
WikiProject Chemicals/Chembox validation/VerifiedDataSandbox
File:Trabectedin .png
Clinical data
AHFS/Drugs.comInternational Drug Names
License data
Routes of
administration		Intravenous
ATC code
Legal status
Legal status
  • UK: POM (Prescription only)
Pharmacokinetic data
BioavailabilityNot applicable (IV only)
Protein binding94 to 98%
MetabolismHepatic (mostly CYP3A4-mediated)
Elimination half-life180 hours (mean)
ExcretionMostly fecal
Identifiers
IUPAC name
  • (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-octahydrospiroisoquinobenzazocine-20,1'(2'H)-isoquinolin]-5-yl acetate
PubChem CID
DrugBank
ChemSpider
UNII
Chemical and physical data
FormulaC39H43N3O11S
Molar mass761.84 g/mol g·mol
3D model (JSmol)
SMILES
  • CC(=O)Oc1c5c(c2OCOc2c1C)6COC(=O)4(NCCc3cc(O)c(OC)cc34)CCS59N6(O)8Cc7cc(C)c(OC)c(O)c79N8C
InChI
  • InChI=1S/C40H45N3O11S/c1-17-11-21-12-23-38(47)43-24-15-51-39(48)40(22-14-26(49-5)25(45)13-20(22)7-9-41-40)8-10-55-37(31(43)30(42(23)4)27(21)32(46)33(17)50-6)29-28(24)36-35(52-16-53-36)18(2)34(29)54-19(3)44/h11,13-14,23-24,30-31,37-38,41,45-47H,7-10,12,15-16H2,1-6H3/t23-,24-,30+,31+,37+,38-,40+/m0/s1
  • Key:AXYPHJWOKPNXAX-IZQXKXCFSA-N