N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)benzo[b][1]benzothiepine-3-sulfonamidemethanesulfonate

N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)benzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate

CAS: 51723-72-9

Molecular Formula	`C22H29N3O5S3`
Molecular Weight	511.7 g/mol
Topological Polar Surface Area	144.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	511.12692
Heavy Atoms	33
Complexity	759.0

Chemical Identifiers

CAS Number	51723-72-9
SMILES	`C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)[O-]`
InChIKey	`UGIZLVADHJITRT-UHFFFAOYSA-N`

📖 Product Overview

N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)benzo[b][1]benzothiepine-3-sulfonamidemethanesulfonate (CAS: 51723-72-9) is a chemical compound with molecular formula C22H29N3O5S3 and molecular weight 511.7 g/mol. Its IUPAC systematic name is N,N-dimethyl-5-(4-methylpiperazin-4-ium-1-yl)benzo[b][1]benzothiepine-3-sulfonamide;methanesulfonate. Topological Polar Surface Area 144.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 511.12692 Heavy Atoms 33 Complexity 759.0 InChI Key: UGIZLVADHJITRT-UHFFFAOYSA-N. SMILES: C[NH+]1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)N(C)C.CS(=O)(=O)[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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