Reaction Details  Report a problem with these data
Cell Reactant:
BDBM36250
Syringe Reactant:
BDBM50216627
Meas. Tech.:
ITC
Entry Date.:
12/08/10
ΔG°:
-3.31±0.01 (kcal/mole)
pH:
7±0
Log10Kb:
1.8
Temperature:
303.25±0 (K)
ΔH° :
-4.14±0.04 (kJ/mole)
ΔS° :
-0±0 (kJ/mole-K)
Comments:
First trial
Citation
 Carrazana, J; Jover, A; Meijide, F; Soto, VH; Vazquez Tato, J Complexation of adamantyl compounds by beta-cyclodextrin and monoaminoderivatives. J Phys Chem B 109:9719-26 (2005) [PubMed]  Article
Cell React
Name:
BDBM36250
Synonyms:
3-NH2-beta-cyclodextrin
Type:
Molecular Host
Emp. Form.:
C42H71NO34
Mol. Mass.:
1133.9994
SMILES:
N[C@@H]1[C@@H](O)[C@@H]2O[C@H](CO)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]7O[C@H](CO)[C@@H](O2)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O
Structure:
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Syringe React
Name:
BDBM50216627
Synonyms:
(alpha-methyl-1-adamantyl)methylamine | 1-Adamantan-1-yl-ethylamine | CHEMBL959 | RIMANTADINE | US11241393, Rimantadine | rimantadin | rimantidin
Type:
Small organic molecule
Emp. Form.:
C12H21N
Mol. Mass.:
179.3018
SMILES:
CC(N)C12CC3CC(CC(C3)C1)C2 |TLB:10:5:12:9.8.11,10:9:12:6.5.4,THB:4:5:8:12.3.11,4:3:6.5.10:8,1:3:6.5.10:8|
Structure:
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