3-(4-methylpiperazin-1-yl)dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine dimethanesulfonate structure
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Common Name | 3-(4-methylpiperazin-1-yl)dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine dimethanesulfonate | ||
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| CAS Number | 87213-38-5 | Molecular Weight | 541.66400 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H27N5O6S3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
| Name | 3-(4-methylpiperazin-1-yl)dibenzo[b,f][1,2,4]triazolo[4,3-d][1,4]thiazepine dimethanesulfonate |
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| Molecular Formula | C21H27N5O6S3 |
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| Molecular Weight | 541.66400 |
| Exact Mass | 541.11200 |
| PSA | 187.99000 |
| LogP | 4.32320 |
| InChIKey | QPVNGCBKWMNZKF-UHFFFAOYSA-N |
| SMILES | CN1CCN(c2nnc3n2-c2ccccc2Sc2ccccc2-3)CC1.CS(=O)(=O)O.CS(=O)(=O)O |