Name: O-Desmethyl Midostaurin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214314666
Cas No:740816-86-8
常用名:O-Desmethyl Midostaurin
别名:O-Desmethyl PKC412, CGP62221
IUPAC:N-[(2S,3R,4R,6S)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methylbenzamide
IUPAC:N-[(2S,3R,4R,6S)-3-hydroxy-2-methyl-16-oxo-29-oxa-1,7,17-triazaoctacyclo[12.12.2.1^{2,6}.0^{7,28}.0^{8,13}.0^{15,19}.0^{20,27}.0^{21,26}]nonacosa-8(13),9,11,14(28),15(19),20(27),21(26),22,24-nonaen-4-yl]-N-methylbenzamide
InChI key:PXOCRDZEEXVZQC-KPIUUKTRSA-N

分子式:C34H28N4O4
分子量:556.622
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CN([C@@H]1C[C@@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)C(=O)c1ccccc1
SMILES:CN([C@@H]1C[C@@H]2O[C@@](C)([C@@H]1O)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13)C(=O)c1ccccc1

O-Desmethyl Midostaurin is the active Midostaurin metabolite via cytochrome P450 liver enzyme metabolism.

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