Basic information
- CAS
43183-08-0- Standard SMILES
CN1CCN(C2Cc3ccccc3Sc3ccc(O)cc32)CC1.Cl.Cl- InChIKey
RBCZWRDOQXCUKT-UHFFFAOYSA-N- Molecular formula
- C19H24Cl2N2OS
- Average molar mass
- 399.4 g/mol
- Monoisotopic mass
- 398.09864
Names & identifiers
- Preferred name
- Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, dihydrochloride
- IUPAC
- 5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepin-3-ol;dihydrochloride
Names & synonyms
Dibenzo(b,f)thiepin-2-ol, 10,11-dihydro-11-(4-methyl-1-piperazinyl)-, dihydrochloride43183-08-010,11-Dihydro-11-(4-methyl-1-piperazinyl)dibenzo(b,f)thiepin-2-ol dihydrochloride8-Hydroxy-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin dihydrochlorideRefChem:337188DTXSID8096295011-(4-Methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
43183-08-0- PubChem CID
- 39399
- DTXSID
DTXSID80962950
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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