Reserpine

Compound Structure

CAS Number: 50-55-5

Molecular Mass: 608.7 g/mol

Formula: C33H40N2O9

Smiles: COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
Diethylene Glycol Monoethyl Ether 298.15 - 3.433 [413]
Diethylene Glycol Monoethyl Ether 308.15 - 4.008 [413]
Diethylene Glycol Monoethyl Ether 318.15 - 4.82 [413]
Diethylene Glycol Monoethyl Ether 328.15 - 5.951 [413]
Diethylene Glycol Monoethyl Ether 338.15 - 6.929 [413]
Ethanol 298.15 - 0.09506 [413]
Ethanol 308.15 - 0.1282 [413]
Ethanol 318.15 - 0.1613 [413]
Ethanol 328.15 - 0.2075 [413]
Ethanol 338.15 - 0.2508 [413]
Ethyl acetate 298.15 - 3.221 [413]
Ethyl acetate 308.15 - 3.708 [413]
Ethyl acetate 318.15 - 4.347 [413]
Ethyl acetate 328.15 - 5.143 [413]
Ethyl acetate 338.15 - 6.078 [413]
Ethylene Glycol 298.15 - 0.577 [413]
Ethylene Glycol 308.15 - 0.7614 [413]
Ethylene Glycol 318.15 - 0.9972 [413]
Ethylene Glycol 328.15 - 1.217 [413]
Ethylene Glycol 338.15 - 1.516 [413]
Isopropanol 298.15 - 0.1922 [413]
Isopropanol 308.15 - 0.2473 [413]
Isopropanol 318.15 - 0.311 [413]
Isopropanol 328.15 - 0.3786 [413]
Isopropanol 338.15 - 0.4589 [413]
Propylene Glycol 298.15 - 0.238 [413]
Propylene Glycol 308.15 - 0.2773 [413]
Propylene Glycol 318.15 - 0.33 [413]
Propylene Glycol 328.15 - 0.3744 [413]
Propylene Glycol 338.15 - 0.442 [413]
Water 298.15 - 0.03271 [413]
Water 308.15 - 0.04198 [413]
Water 318.15 - 0.05253 [413]
Water 328.15 - 0.0633 [413]
Water 338.15 - 0.07455 [413]

Molecule 3D descriptors

Descriptor Value
PMI1 4340.7725
PMI2 15383.5216
PMI3 17714.3590
NPR1 0.2450
NPR2 0.8684
RadiusOfGyration 5.5456
InertialShapeFactor 0.0002
Eccentricity 0.9695
Asphericity 0.4370
SpherocityIndex 0.2208
PBF 1.3133