ZINC03938746

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.

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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-KZJCVDDTDV
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:
    ZINC03938746
    50-55-5

Registries:
    ChemSpider: InChIKey=QEVHRUUCFGRFIF-KZJCVDDTDV
    PubChem CID 11870247
    PubChem ID 12172203

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