Identification
Name |
Librax |
Synonyms |
7-Chloro-4-Hydroxy-N-Methyl-5-Phenyl-3H-1,4-Benzodiazepin-2-Imine; (1-Methylquinuclidin-1-Ium-3-Yl) 2-Hydroxy-2,2-Diphenyl-Acetate; Bromide; 7-Chloro-4-Hydroxy-N-Methyl-5-Phenyl-3H-1,4-Benzodiazepin-2-Imine; 2-Hydroxy-2,2-Diphenylacetic Acid (1-Methyl-3-Quinuclidin-1-Iumyl) Ester; Bromide |
|
Molecular Structure |
 |
Molecular Formula |
C38H40BrClN4O4 |
Molecular Weight |
732.12 |
CAS Registry Number |
8015-20-1 |
SMILES |
[N+]34(CC(OC(=O)C(O)(C1=CC=CC=C1)C2=CC=CC=C2)C(CC3)CC4)C.C7=C(C5=C6C(=NC(=NC)CN5O)C=CC(=C6)Cl)C=CC=C7.[Br-] |
InChI |
1S/C22H26NO3.C16H14ClN3O.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-18-15-10-20(21)16(11-5-3-2-4-6-11)13-9-12(17)7-8-14(13)19-15;/h2-11,17,20,25H,12-16H2,1H3;2-9,21H,10H2,1H3;1H/q+1;;/p-1 |
InChIKey |
DEFSGBLCSDNASK-UHFFFAOYSA-M |
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