Cyclosporine

Compound Structure

CAS Number: 59865-13-3

Molecular Mass: 1202.6 g/mol

Formula: C62H111N11O12

Smiles: C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Diethylene Glycol Monoethyl Ether 298.15 - 2500.0 [475]
Water 298.15 - 0.02855 [475]

Molecule 3D descriptors

Descriptor Value
PMI1 23339.6614
PMI2 38052.4587
PMI3 53544.4935
NPR1 0.4359
NPR2 0.7107
RadiusOfGyration 6.9127
InertialShapeFactor 0.0000
Eccentricity 0.9000
Asphericity 0.2072
SpherocityIndex 0.2423
PBF 1.7107