Methanesulfonic acid;6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-8-carboxamide

Name: Methanesulfonic acid;6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-8-carboxamide
SKU: ACM55301843
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CAS

55301-84-3

Catalog Number

ACM55301843

Category

Other Products

Molecular Weight

545.692 g/mol

Molecular Formula

C₂₂H₃₁N₃O₇S₃

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Specification

Synonyms

Dibenzo(b,f)thiepin-2-carboxamide,10,11-dihydro-11-(4-methyl-1-piperazinyl)-,methanesulfonate,hydrate (1:2:2); 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-3-carboxamide;

IUPAC Name

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

Canonical SMILES

CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)C(=O)N.CS(=O)(=O)O.CS(=O)(=O)O

InChI Key

ZESHHGKIBXVEJL-UHFFFAOYSA-N

Boiling Point

482.3ºC at 760 mmHg

Flash Point

245.5ºC

Exact Mass

545.13200