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Donepezil Metabolite M11

PropertiesImage
MNX_IDMNXM1560597 Image of MNXM1560597
referencevmhM:dnpz_m11
vmhM:dnpz_m11
formulaC29H35NO9
global charge0
mol weight541.597
InChIKeyGUJDLRRGLWFUSI-OWECDQGASA-N
InChIInChI=1S/C29H35NO9/c1-37-21-13-18-12-19(11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17)23(31)20(18)14-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29?/m0/s1
SMILESCOc1cc2c(cc1OC1O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]1O)C(=O)C(CC1CC[NH+](Cc3ccccc3)CC1)C2
MNX internals
InChI (mnx)InChI=1/C29H35NO9/c1-37-21-13-18-12-19(11-16-7-9-30(10-8-16)15-17-5-3-2-4-6-17)23(31)20(18)14-22(21)38-29-26(34)24(32)25(33)27(39-29)28(35)36/h2-6,13-14,16,19,24-27,29,32-34H,7-12,15H2,1H3,(H,35,36)/t19?,24-,25-,26+,27-,29?/m0/s1 Image of MNXM1560597
SMILES (mnx)[CH3:1][O:37][c:21]1[cH:13][c:18]2[c:20]([cH:14][c:22]1[O:38][CH:29]1[C@H:26]([OH:34])[C@@H:24]([OH:32])[C@H:25]([OH:33])[C@@H:27]([C:28]([OH:35])=[O:36])[O:39]1)[C:23](=[O:31])[CH:19]([CH2:11][CH:16]1[CH2:7][CH2:9][N:30]([CH2:15][c:17]3[cH:5][cH:3][cH:2][cH:4][cH:6]3)[CH2:10][CH2:8]1)[CH2:12]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:dnpz_m11
vmhM:dnpz_m11
vmhmetabolite:dnpz_m11
vmhmetabolite:dnpz_m11
GUJDLRRGLWFUSI-OWECDQGASA-N 		Donepezil Metabolite M11

vmhM:M_dnpz_m11 		secondary/obsolete/fantasy identifier