Products 493024-42-3

CAS 493024-42-3 appears in our catalog under these names: Trabectedin Impurity 2, ET-701. Offered by: Chemat Brand, TRC. Available pack sizes: on request, 2,5mg.

Trabectedin Impurity 2
Chemat Brand
  • size: on request
  • Variants: 1
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ET-701
TRC
  • size: 2,5mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,2R,3R,11S,12S,14R,26R)-5,6',12,22-tetrahydroxy-6,7'-dimethoxy-7,21,30-trimethylspiro[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(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-27-one (CAS 493024-42-3) is a chemical compound with the molecular formula C37H41N3O10S and a molecular weight of 719.8 g/mol. IUPAC name: (1R,2R,3R,11S,12S,14R,26R)-5,6',12,22-tetrahydroxy-6,7'-dimethoxy-7,21,30-trimethylspiro[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(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-27-one. InChIKey: GJIXRKBWLMRSEU-SFDKHMBCSA-N.

Identity
Molecular formulaC37H41N3O10S
Molecular weight719.8 g/mol
IUPAC name(1R,2R,3R,11S,12S,14R,26R)-5,6',12,22-tetrahydroxy-6,7'-dimethoxy-7,21,30-trimethylspiro[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(23),16(20),21-hexaene-26,1'-3,4-dihydro-2H-isoquinoline]-27-one
InChIKeyGJIXRKBWLMRSEU-SFDKHMBCSA-N
SMILESCC1=CC2=C([C@@H]3[C@@H]4[C@H]5C6=C([C@@H](N4[C@H]([C@H](C2)N3C)O)COC(=O)[C@@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6O)C)OCO9)C(=C1OC)O

Computed by PubChem (NCBI)

Synonyms: Trabectedin Impurity A