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tasosartan N-glucuronide

PropertiesImage
MNX_IDMNXM1596532 Image of MNXM1596532
referencevmhM:tasong
vmhM:tasong
formulaC29H28N7O7
global charge-1
mol weight586.585
InChIKeyZHBRSZKPYHGOOO-NKIPBGGNSA-M
InChIInChI=1S/C29H29N7O7/c1-14-18-11-12-21(37)35(27(18)31-15(2)30-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)26-32-34-36(33-26)28-24(40)22(38)23(39)25(43-28)29(41)42/h3-10,22-25,28,38-40H,11-13H2,1-2H3,(H,41,42)/p-1/t22-,23-,24+,25-,28?/m0/s1
SMILESCc1nc(C)c2c(n1)N(Cc1ccc(-c3ccccc3-c3nnn(C4O[C@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@H]4O)n3)cc1)C(=O)CC2
MNX internals
InChI (mnx)InChI=1/C29H29N7O7/c1-14-18-11-12-21(37)35(27(18)31-15(2)30-14)13-16-7-9-17(10-8-16)19-5-3-4-6-20(19)26-32-34-36(33-26)28-24(40)22(38)23(39)25(43-28)29(41)42/h3-10,22-25,28,38-40H,11-13H2,1-2H3,(H,41,42)/t22-,23-,24+,25-,28?/m0/s1 Image of MNXM1596532
SMILES (mnx)[CH3:1][c:14]1[c:18]2[c:27]([n:31][c:15]([CH3:2])[n:30]1)[N:35]([CH2:13][c:16]1[cH:7][cH:9][c:17](-[c:19]3[cH:5][cH:3][cH:4][cH:6][c:20]3-[c:26]3[n:32][n:34][n:36]([CH:28]4[C@H:24]([OH:40])[C@@H:22]([OH:38])[C@H:23]([OH:39])[C@@H:25]([C:29]([OH:41])=[O:42])[O:43]4)[n:33]3)[cH:10][cH:8]1)[C:21](=[O:37])[CH2:12][CH2:11]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:tasong
vmhM:tasong
vmhmetabolite:tasong
vmhmetabolite:tasong
ZHBRSZKPYHGOOO-NKIPBGGNSA-M 		tasosartan N-glucuronide

vmhM:M_tasong 		secondary/obsolete/fantasy identifier