Dibenzo(b,f)(1,4)thiazepine, 8-chloro-10,11-dihydro-10-(3-methylaminopropyl)-, dihydrobromide, hydrate
Basic information
- CAS
60816-68-4- Standard SMILES
C[NH2+]CCC[NH+]1Cc2ccccc2Sc2ccc(Cl)cc21.[Br-].[Br-]- InChIKey
FMHPBLNPHBCSLP-UHFFFAOYSA-N- Molecular formula
- C17H21Br2ClN2S
- Average molar mass
- 480.7 g/mol
- Monoisotopic mass
- 477.94807
Names & identifiers
- Preferred name
- Dibenzo(b,f)(1,4)thiazepine, 8-chloro-10,11-dihydro-10-(3-methylaminopropyl)-, dihydrobromide, hydrate
- IUPAC
- 3-(3-chloro-5,6-dihydrobenzo[b][1,4]benzothiazepin-5-ium-5-yl)propyl-methylazanium dibromide
Names & synonyms
60816-68-4Dibenzo(b,f)(1,4)thiazepine, 8-chloro-10,11-dihydro-10-(3-methylaminopropyl)-, dihydrobromide, hydrateRefChem:1083333SQ 10638
Database identifiers
- CAS
60816-68-4- PubChem CID
- 43487
Properties
Computed structural properties
- Topological polar surface area
- 46.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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