C39H43N3O11S
761.8 g/mol
APIDanger
Trabectedin
CAS114899-77-3
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Trabectedin is an alkylating agent derived from the marine organism Ecteinascidia turbinata. It is an active pharmaceutical ingredient used in pharmaceutical manufacturing.
pharmaceutical raw materialalkylating agent for pharmaceutical research
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 114899-77-3
Related Compounds
SimilarStructure SimilarSimilarity 0.74
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Safety Reference
Danger
H300Fatal if swallowed
H312Harmful in contact with skin
H332Harmful if inhaled
H340May cause genetic defects
H341Suspected of causing genetic defects
H361Suspected of damaging fertility or the unborn child
H373May cause damage to organs through prolonged or repeated exposure
Identifiers
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
InChIKey
PKVRCIRHQMSYJX-AIFWHQITSA-N
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
Synonyms (24)
- Ect 743
- Ecteinascidin
- Ecteinascidin 743;ET-743
- Ecteinascidine 743
- Ecteinascidins trabectedin
- Et 743
- TRABECTEDIN [MART.]
- Trabectedin
- Trabectedina
- Yondelis
- ecteinascidin 743
- trabectedine
- trabectedinum