Basic information
- CAS
60969-81-5- Standard SMILES
COc1cc2c(cc1OC)Sc1ccc(Cl)cc1C(N1CCN(C)CC1)C2.CS(=O)(=O)O.CS(=O)(=O)O- InChIKey
OZVZCNXOYLMSJO-UHFFFAOYSA-N- Molecular formula
- C23H33ClN2O8S3
- Average molar mass
- 597.2 g/mol
- Monoisotopic mass
- 596.1087572
Names & identifiers
- Preferred name
- Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonate
- IUPAC
- 1-(8-chloro-2,3-dimethoxy-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine;methanesulfonic acid
Names & synonyms
60969-81-5Piperazine, 1-(8-chloro-10,11-dihydro-2,3-dimethoxydibenzo(b,f)thiepin-10-yl)-4-methyl-, dimethanesulfonateRefChem:372430SCHEMBL11470698DTXSID30976446OZVZCNXOYLMSJO-UHFFFAOYSA-N8-chloro-2,3-dimethoxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepine dimethanesulfonateMethanesulfonic acid--1-(8-chloro-2,3-dimethoxy-10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine (2/1)
Database identifiers
- CAS
60969-81-5- PubChem CID
- 3045598
- DTXSID
DTXSID30976446
Properties
Computed structural properties
- Topological polar surface area
- 176 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 583
Related reactions
1 records
Compound notes
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