Molecules/2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride
Molecular Identity
2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one dichloride
PubChem CID: 37397
2D Structure
Properties
C20H32Cl2N2O4
Molecular Formula
435.40
Molecular Weight
g/mol
434.1739
Exact Mass
Da
64.6
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
609
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-]Isomeric SMILES
SMILES: CC(C)C1=CC(=CC(=C(C1=O)O)C[NH+]2CCOCC2)C[NH+]3CCOCC3.[Cl-].[Cl-]Synonyms(7)
2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochlorideRefChem:10596115,7-Bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one dihydrochloride36170-25-9IDMT3-Isopropyl-5,7-dimorpholinomethyltropolone dihydrochloride2-hydroxy-3,5-bis(morpholin-4-ium-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one;dichloride
Data from PubChem (NCBI)
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Molecular Structure
2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
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Drug Network
Trials and conditions connected to 2,4,6-Cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-, dihydrochloride
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