butorphanol D-tartrate

Properties Image MNX_ID MNXM152984 reference chebi:3243 formula C25H35NO8 global charge 0 mol weight 477.554 InChIKey GMTYREVWZXJPLF-AFHUBHILSA-N InChI InChI=1S/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1 SMILES O=C(O)[C@@H](O)[C@H](O)C(=O)O.OC1=CC2=C(C=C1)C[C@H]1N(CC3CCC3)CC[C@@]23CCCC[C@@]13O MNX internals InChI (mnx) InChI=1/C21H29NO2.C4H6O6/c23-17-7-6-16-12-19-21(24)9-2-1-8-20(21,18(16)13-17)10-11-22(19)14-15-4-3-5-15;5-1(3(7)8)2(6)4(9)10/h6-7,13,15,19,23-24H,1-5,8-12,14H2;1-2,5-6H,(H,7,8)(H,9,10)/t19-,20+,21-;1-,2-/m10/s1 SMILES (mnx) [C@H:25]([C@@H:26]([C:28](=[O:33])[OH:34])[OH:30])([C:27](=[O:31])[OH:32])[OH:29].[CH2:1]1[CH2:2][CH2:9][C@@:21]2([OH:24])[C@H:19]3[CH2:12][C:16]4=[CH:6][CH:7]=[C:17]([OH:23])[CH:13]=[C:18]4[C@:20]2([CH2:8]1)[CH2:10][CH2:11][N:22]3[CH2:14][CH:15]1[CH2:4][CH2:3][CH2:5]1

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0