methanesulfonic acid5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide

methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide

CAS: 55301-84-3

Molecular Formula	`C22H31N3O7S3`
Molecular Weight	545.7 g/mol
Topological Polar Surface Area	200.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	10
Rotatable Bonds	2
Exact Mass	545.1324
Heavy Atoms	35
Complexity	572.0

Chemical Identifiers

CAS Number	55301-84-3
SMILES	`CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)N.CS(=O)(=O)O.CS(=O)(=O)O`
InChIKey	`ZESHHGKIBXVEJL-UHFFFAOYSA-N`

📖 Product Overview

methanesulfonic acid5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide (CAS: 55301-84-3) is a chemical compound with molecular formula C22H31N3O7S3 and molecular weight 545.7 g/mol. Its IUPAC systematic name is methanesulfonic acid;5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide. Topological Polar Surface Area 200.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 10 Rotatable Bonds 2 Exact Mass 545.1324 Heavy Atoms 35 Complexity 572.0 InChI Key: ZESHHGKIBXVEJL-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)N.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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