Inulinase
tris(1-[4-(dimethylamino)phenyl]-7-hydroxy-2,4-dimethyl-7-(oxidoamino)hepta-3,5-dien-1-one);iron(3+)
Molecular Identity
Inulinase
tris(1-[4-(dimethylamino)phenyl]-7-hydroxy-2,4-dimethyl-7-(oxidoamino)hepta-3,5-dien-1-one);iron(3+)
PubChem CID: 168009947
2D Structure
Properties
C51H69FeN6O9
Molecular Formula
966.00
Molecular Weight
g/mol
965.4475
Exact Mass
Da
227
TPSA
May have limited oral absorption
6
H-Bond Donors
15
H-Bond Acceptors
410
Complexity
SMILES
Canonical SMILES
SMILES: CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.[Fe+3]Isomeric SMILES
SMILES: CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.CC(C=C(C)C=CC(N[O-])O)C(=O)C1=CC=C(C=C1)N(C)C.[Fe+3]Synonyms(9)
Inulinase9025-67-6inulaseRefChem:791111DTXSID9093858EINECS 232-802-3232-802-3SCHEMBL27867859[7-[4-(Dimethylamino)phenyl]-1-hydroxy-4,6-dimethyl-7-oxohepta-2,4-dienyl]-hydroxyazanide;iron(3+)
Data from PubChem (NCBI)
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Drug Network
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