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Tasimelteon M1

PropertiesImage
MNX_IDMNXM1596524 Image of MNXM1596524
referencevmhM:tasmltnm1
vmhM:tasmltnm1
formulaC21H26NO9
global charge-1
mol weight436.437
InChIKeyUVSFXCZQTLMIIZ-UPDOAGBISA-M
InChIInChI=1S/C21H27NO9/c1-2-14(23)22-8-9-6-11(9)10-4-3-5-13-12(10)7-15(29-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h3-5,9,11,15-19,21,24-26H,2,6-8H2,1H3,(H,22,23)(H,27,28)/p-1/t9-,11-,15?,16-,17-,18+,19-,21?/m1/s1
SMILESCCC(=O)NC[C@H]1C[C@H]1c1cccc2c1CC(OC1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@@H]1O)O2
MNX internals
InChI (mnx)InChI=1/C21H27NO9/c1-2-14(23)22-8-9-6-11(9)10-4-3-5-13-12(10)7-15(29-13)30-21-18(26)16(24)17(25)19(31-21)20(27)28/h3-5,9,11,15-19,21,24-26H,2,6-8H2,1H3,(H,22,23)(H,27,28)/t9-,11-,15?,16-,17-,18+,19-,21?/m1/s1 Image of MNXM1596524
SMILES (mnx)[CH3:1][CH2:2][C:14]([NH:22][CH2:8][C@H:9]1[CH2:6][C@H:11]1[c:10]1[cH:4][cH:3][cH:5][c:13]2[c:12]1[CH2:7][CH:15]([O:30][CH:21]1[C@@H:18]([OH:26])[C@H:16]([OH:24])[C@@H:17]([OH:25])[C@H:19]([C:20]([OH:27])=[O:28])[O:31]1)[O:29]2)=[O:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

vmhM:tasmltnm1
vmhM:tasmltnm1
vmhmetabolite:tasmltnm1
vmhmetabolite:tasmltnm1
UVSFXCZQTLMIIZ-UPDOAGBISA-M 		Tasimelteon M1

vmhM:M_tasmltnm1 		secondary/obsolete/fantasy identifier