ZINC04291195

PubChem Notes:

Reserpine An alkaloid found in the roots of Rauwolfia serpentina and R. vomitoria. Reserpine inhibits the uptake of norepinephrine into storage vesicles resulting in depletion of catecholamines and serotonin from central and peripheral axon terminals. It has been used as an antihypertensive and an antipsychotic as well as a research tool, but its adverse effects limit its clinical use.

Molecular Formula: C33H41N2O9+


InChI: InChI=1/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/p+1/t18-,22+,24-,27+,28+,31+/m1/s1/fC33H41N2O9/h35H/q+1

InChIKey: InChIKey=QEVHRUUCFGRFIF-UYCGOGAVDC
SMILES: COC1C(CC2C[NH+]3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC

Names:
    ZINC04291195
    50-55-5

Registries:
    PubChem CID 11888075
    PubChem ID 12315132