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Chemical structure of Echitamine chloride

GC63871

Echitamine chloride

Also known as methyl (1S,9R,10S,12S,13E,15S,18R)-13-ethylidene-10-hydroxy-18-(hydroxymethyl)-15-methyl-8-aza-15-azoniapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,4,6-triene-18-carboxylate chloride

Echitamine chloride is the major monoterpene indole alkaloid present in Alstonia with potent anti-tumour activity· Echitamine chloride induces DNA fragmentation and cells apoptosis· Echitamine chloride inhibits pancreatic lipase with an IC50 of 10·92 μM

ChemicalCAS6878-36-0MW420.93FormulaC22H29ClN2O4
CAS number
6878-36-0
Molecular weight
420.93
Formula
C22H29ClN2O4
InChIKey
QYXFKPCRGWUWAM-CPPNUAKTSA-M
Catalogue number
GC63871
Brand
GLPBIO
Computed properties PubChem CID 131633388 · TPSA 78.8 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
78.8 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
29

SMILES C/C=C\1/C[N@@+]2(CC[C@@]34[C@@]2([C@H](C[C@@H]1[C@@]3(CO)C(=O)OC)O)NC5=CC=CC=C45)C.[Cl-]

Computed descriptors from PubChem (CID 131633388), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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