Midostaurin Impurity 1

cas: 945260-14-0 — see every product listed under this CAS number, including other names

Midostaurin Impurity 1 (CAS 945260-14-0) is a chemical reagent available from Chemat. Available pack sizes: on request, 10mg, 5mg, 25mg, 50mg. Offered by: Chemat Brand, Biosynth.

brandChemat Brand
catalog numberULM160007
cas945260-14-0
sizeon request
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categoryChemicals
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Structural formula: {0} (CAS {1})

N-[(2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide (CAS 945260-14-0) is a chemical compound with the molecular formula C35H30N4O5 and a molecular weight of 586.6 g/mol. IUPAC name: N-[(2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide. InChIKey: ZZSBPGIGIUFJRA-AKIDMACVSA-N.

Identity
Molecular formulaC35H30N4O5
Molecular weight586.6 g/mol
IUPAC nameN-[(2S,3R,4R,6R,18S)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide
InChIKeyZZSBPGIGIUFJRA-AKIDMACVSA-N
SMILESC[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)[C@@H](NC6=O)O)N(C)C(=O)C9=CC=CC=C9)OC

Computed by PubChem (NCBI)

Synonyms: (S)-3-Hydroxy Midostaurin, Midostaurin impurity 3, orb1708622, 3 Hydroxy Midostaurin Epimer 1 (CGP52421 Epimer 1)
Related forms of this compound
N-[(2S,3R,4R,6R,18R)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide C35H30N4O5
N-[(2S,3R,4R,6R)-18-hydroxy-3-methoxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-4-yl]-N-methylbenzamide C35H30N4O5

Also listed as

(S)-3-Hydroxy Midostaurin TargetMol CAS 945260-14-0