Molecular Identity
Reserpine
methyl (1R,15S,17R,18R,19S,20S)-6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
PubChem CID: 5770
Reserpine can cause cancer according to California Labor Code.
2D Structure
Properties
C33H40N2O9
Molecular Formula
608.70
Molecular Weight
g/mol
608.2734
Exact Mass
Da
4
XLogP
Drug-like (Lipinski: < 5)
118
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
10
H-Bond Acceptors
1000
Complexity
SMILES
Canonical SMILES
SMILES: COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OCIsomeric SMILES
SMILES: CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OCSynonyms(20)
reserpine50-55-5SerpalanSerpasilApoplonSandrilSerpiviteAlserinRau-Sed(-)-ReserpineDeserpineElserpineEskaserpHiserpiaRaunervil
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Reserpine
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