5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamidemethanesulfonic acid

5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid

CAS: 51723-70-7

Molecular Formula	`C25H39N3O9S4`
Molecular Weight	653.9 g/mol
Topological Polar Surface Area	223.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	13
Rotatable Bonds	6
Exact Mass	653.1569
Heavy Atoms	41
Complexity	769.0

Chemical Identifiers

CAS Number	51723-70-7
SMILES	`CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O.CS(=O)(=O)O`
InChIKey	`KQOHVOVWUMYNBM-UHFFFAOYSA-N`

📖 Product Overview

5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamidemethanesulfonic acid (CAS: 51723-70-7) is a chemical compound with molecular formula C25H39N3O9S4 and molecular weight 653.9 g/mol. Its IUPAC systematic name is 5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamide;methanesulfonic acid. Topological Polar Surface Area 223.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 13 Rotatable Bonds 6 Exact Mass 653.1569 Heavy Atoms 41 Complexity 769.0 InChI Key: KQOHVOVWUMYNBM-UHFFFAOYSA-N. SMILES: CN(C)S(=O)(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCCO.CS(=O)(=O)O.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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Technical Blog Article

Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 5-[4-(3-hydroxypropyl)piperazin-1-yl]-N,N-dimethyl-5,6-dihydrobenzo[b][1]benzothiepine-3-sulfonamidemethanesulfonic acid.

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