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Chemical structure of Apovincaminic acid hydrochloride salt

GC60591

Apovincaminic acid hydrochloride salt

Also known as (15S,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18),16-pentaene-17-carboxylic acid;hydrochloride

Apovincaminic acid hydrochloride salt is an orally active and brain-penetrant main active metabolite of Vinpocetine (VP)

ChemicalCAS72296-47-0MW358.86FormulaC20H23ClN2O2
CAS number
72296-47-0
Molecular weight
358.86
Formula
C20H23ClN2O2
Solubility
DMSO : 50 mg/mL (139·33 mM; Need ultrasonic)
InChIKey
LXMYBTYOASVVKL-VDWUQFQWSA-N
Catalogue number
GC60591
Brand
GLPBIO
Computed properties PubChem CID 131667715 · TPSA 45.5 Ų · H-bond donors 2 · H-bond acceptors 3
TPSA
45.5 Ų
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
25

SMILES CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)O.Cl

Computed descriptors from PubChem (CID 131667715), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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