Benzamide, N-(1,2-diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoyl-, hemihydrate

bis(N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide);hydrate

CAS: 100243-25-2

Molecular Formula	`C30H46N8O9S2`
Molecular Weight	726.9 g/mol
Topological Polar Surface Area	228.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	15
Rotatable Bonds	8
Exact Mass	726.2829
Heavy Atoms	49
Complexity	556.0

Chemical Identifiers

CAS Number	100243-25-2
SMILES	`COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.O`
InChIKey	`LBBUZEPJUANZPK-UHFFFAOYSA-N`

📖 Product Overview

Benzamide, N-(1,2-diazabicyclo(3.2.2)non-2-yl)-2-methoxy-5-sulfamoyl-, hemihydrate (CAS: 100243-25-2) is a chemical compound with molecular formula C30H46N8O9S2 and molecular weight 726.9 g/mol. Its IUPAC systematic name is bis(N-(1,2-diazabicyclo[3.2.2]nonan-2-yl)-2-methoxy-5-sulfamoylbenzamide);hydrate. Topological Polar Surface Area 228.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 15 Rotatable Bonds 8 Exact Mass 726.2829 Heavy Atoms 49 Complexity 556.0 InChI Key: LBBUZEPJUANZPK-UHFFFAOYSA-N. SMILES: COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NN2CCC3CCN2CC3.O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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