BDBM36028 (1R,2R)-(-)-pseudoephedrine
SMILES: C[NH2+][C@H](C)[C@H](O)c1ccccc1
InChI Key: InChIKey=KWGRBVOPPLSCSI-SCZZXKLOSA-O
Data: 2 ITC
Cell (A) | Syringe (B) | Cell Links | Syringe Links | Cell + Syr Links | ΔG° kcal/mole | -TΔS° kcal/mole | ΔH° kcal/mole | log K | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|
BDBM4 | BDBM36028 | CHEBI MMDB PC cid PC sid PDB | PC cid PC sid | -1.73 | 2.51 | -4.25 | 1.27 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) | |||||||||
BDBM11 | BDBM36028 | CHEBI KEGG MMDB PC cid PC sid PDB | PC cid PC sid | -2.51 | -0.121 | -2.39 | 1.84 | 6.90 | 24.9 | |
NIST | J Am Chem Soc 117: 8830-40 (1995) |