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

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Catalog Number
ACM55301843
Product Name
Methanesulfonic acid;6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-8-carboxamide
CAS
55301-84-3
Category
Heterocyclic Organic Compound
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
Molecular Weight
545.692 g/mol
Molecular Formula
C22H31N3O7S3
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
H-Bond Acceptor
10
H-Bond Donor
3
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