PBD dimer-4

cas: 1821339-88-1 — see every product listed under this CAS number, including other names

PBD dimer-4 (CAS 1821339-88-1) is a chemical reagent available from Chemat. Available pack sizes: Get quote. Offered by: MedChemExpress.

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cas1821339-88-1
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Structural formula: {0} (CAS {1})

(6aR,7S)-7-[3-[[(6aR,7S)-2,3-dimethoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-7-yl]oxy]propoxy]-2,3-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one (CAS 1821339-88-1) is a chemical compound with the molecular formula C31H36N4O8 and a molecular weight of 592.6 g/mol. IUPAC name: (6aR,7S)-7-[3-[[(6aR,7S)-2,3-dimethoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-7-yl]oxy]propoxy]-2,3-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one. InChIKey: YADKAJDWESMLLP-NGSHPTGOSA-N.

Identity
Molecular formulaC31H36N4O8
Molecular weight592.6 g/mol
IUPAC name(6aR,7S)-7-[3-[[(6aR,7S)-2,3-dimethoxy-11-oxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-7-yl]oxy]propoxy]-2,3-dimethoxy-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-11-one
InChIKeyYADKAJDWESMLLP-NGSHPTGOSA-N
SMILESCOC1=C(C=C2C(=C1)C(=O)N3CC[C@@H]([C@H]3C=N2)OCCCO[C@H]4CCN5[C@@H]4C=NC6=CC(=C(C=C6C5=O)OC)OC)OC

Computed by PubChem (NCBI)

Synonyms: orb3135895

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