Reaction Details  Report a problem with these data
Cell Reactant:
BDBM11
Syringe Reactant:
BDBM7887
Meas. Tech.:
ITC
Entry Date.:
10/07/10
ΔG°:
-14.92±0.08 (kJ/mole)
pH:
10±0
Log10Kb:
0
Temperature:
298±0 (K)
ΔH° :
-15.9±0.2 (kJ/mole)
ΔS° :
-0.0034±0.0007 (kJ/mole-K)
Comments:
First trial
Citation
 Rekharsky, BD; Goldberg, RN; Schwarz, FP; Tewari, YB; Ross, PD; Yamashoji, Y; Inoue, Y Thermodynamic and Nuclear Magnetic Resonance Study of the Interactions of alpha-and beta-Cyclodextrin with Model Substances: Phenethylamine, Ephedrines, and Related Substances J Am Chem Soc 117:8830-40 (1995)  
Cell React
Source:
7585-39-9 (Sigma)
Name:
BDBM11
Synonyms:
beta-cyclodextrin | betadex
Type:
Molecular Host
Emp. Form.:
C42H70O35
Mol. Mass.:
1134.9842
SMILES:
[H][C@]1(CO)O[C@]2([H])O[C@]3([H])[C@@]([H])(CO)O[C@]([H])(O[C@]4([H])[C@@]([H])(CO)O[C@]([H])(O[C@]5([H])[C@@]([H])(CO)O[C@]([H])(O[C@]6([H])[C@@]([H])(CO)O[C@]([H])(O[C@]7([H])[C@@]([H])(CO)O[C@]([H])(O[C@]8([H])[C@@]([H])(CO)O[C@]([H])(O[C@@]1([H])[C@]([H])(O)[C@@]2([H])O)[C@]([H])(O)[C@@]8([H])O)[C@]([H])(O)[C@@]7([H])O)[C@]([H])(O)[C@@]6([H])O)[C@]([H])(O)[C@@]5([H])O)[C@]([H])(O)[C@@]4([H])O)[C@]([H])(O)[C@@]3([H])O
Structure:
Search PDB for entries with ligand similarity:
Syringe React
Source:
4238-71-5 (Aldrich)
Name:
BDBM7887
Synonyms:
1-Benzylimidazole (BI) | 1-benzyl-1H-imidazole | 1-benzylimidazole | CHEMBL14192 | US9138393, 1-benzylimidazole
Type:
Small organic molecule
Emp. Form.:
C10H10N2
Mol. Mass.:
158.1998
SMILES:
C(c1ccccc1)n1ccnc1
Structure:
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