Calcium ionophore a23187 hemimagnesium salt

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Catalog Number
ACM72124777
Product Name
Calcium ionophore a23187 hemimagnesium salt
CAS
72124-77-7
Category
Heterocyclic Organic Compound
Synonyms
Calcimycin hemimagnesium salt, Calcium Ionophore A23187 hemimagnesium salt, Calimycin hemimagnesium salt, A23187 hemimagnesium salt, C9400_SIGMA, Antibiotic A 23187 hemimagnesium salt, 72124-77-7
IUPAC Name
magnesium;5-(methylamino)-2-[[(2S,3R,5R,6S,8R,9R)-3,5,9-trimethyl-2-[(2S)-1-oxo-1-(1H-pyrrol-2-yl)propan-2-yl]-1,7-dioxaspiro[5.5]undecan-8-yl]methyl]-1,3-benzoxazole-4-carboxylate
Molecular Weight
534.77
Molecular Formula
C29H36Mg0.5N3O6
Canonical SMILES
CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.CC1CCC2(C(CC(C(O2)C(C)C(=O)C3=CC=CN3)C)C)OC1CC4=NC5=C(O4)C=CC(=C5C(=O)[O-])NC.[Mg+2]
InChI Key
XBWKBTZDBYFEMH-UIOMRPQBSA-L
Exact Mass
1068.51000
H-Bond Acceptor
16
H-Bond Donor
4
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