deserpidine   

GtoPdb Ligand ID: 7064

Synonyms: Harmonyl® | recanescin
deserpidine is an approved drug (FDA (1957))
Comment: Deserpidine is chemically related to reserpine.
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 108.55
Molecular weight 578.26
XLogP 3.72
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COC(=O)C1C(OC)C(CC2C1CC1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC
Isomeric SMILES COC(=O)[C@@H]1[C@@H](OC)[C@@H](C[C@H]2[C@@H]1C[C@H]1N(C2)CCc2c1[nH]c1c2cccc1)OC(=O)c1cc(OC)c(c(c1)OC)OC
InChI InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1
InChI Key CVBMAZKKCSYWQR-WCGOZPBSSA-N
Classification
Compound class Natural product or derivative
Approved drug? Yes (FDA (1957))
IUPAC Name
methyl (1R,15S,17R,18R,19S,20S)-18-methoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate
International Nonproprietary Names
INN number INN
656 deserpidine
Synonyms
Harmonyl® | recanescin
Database Links
CAS Registry No. 131-01-1
ChEBI CHEBI:27478
ChEMBL Ligand CHEMBL1200515
DrugBank Ligand DB01089
DrugCentral Ligand 810
GtoPdb PubChem SID 178103643
PubChem CID 8550
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Wikipedia Deserpidine