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Chemical structure of A23187

GC11200

A23187

Also known as 5-(methylamino)-2-[[(2S,3R,5R,8S,9S)-3,5,9-trimethyl-2-[1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylic acid

A23187, free acid is a Ca2+ ionophore

ChemicalCAS52665-69-7MW523.63FormulaC29H37N3O6
CAS number
52665-69-7
Molecular weight
523.63
Formula
C29H37N3O6
Solubility
1mg/ml in DMSO, 10mg/mL in DMF
InChIKey
HIYAVKIYRIFSCZ-CVXKHCKVSA-N
Catalogue number
GC11200
Brand
GLPBIO
Computed properties PubChem CID 40486 · XLogP 5.9 · TPSA 127 Ų · H-bond donors 3
XLogP
5.9
TPSA
127 Ų
H-bond donors
3
H-bond acceptors
8
Rotatable bonds
7
Heavy atoms
38

SMILES C[C@H]1CCC2([C@@H](C[C@H]([C@H](O2)C(C)C(=O)C3=CC=CN3)C)C)O[C@H]1CC4=NC5=C(O4)C=CC(=C5C(=O)O)NC

Computed descriptors from PubChem (CID 40486), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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