Basic information
- CAS
67195-39-5- Standard SMILES
CC[NH+](CC)CCN1c2ccccc2C(=O)N(CCC[NH+](C)C)c2ccccc21.[Cl-].[Cl-]- InChIKey
MTYNOLBWUBPYQL-UHFFFAOYSA-N- Molecular formula
- C24H36Cl2N4O
- Average molar mass
- 467.5 g/mol
- Monoisotopic mass
- 466.2266172
Names & identifiers
- Preferred name
- 11H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(2-(diethylamino)ethyl)-10-(3-(dimethylamino)propyl)-, dihydrochloride
- IUPAC
- 3-[11-[2-(diethylazaniumyl)ethyl]-6-oxobenzo[b][1,4]benzodiazepin-5-yl]propyl-dimethylazanium dichloride
Names & synonyms
67195-39-511H-Dibenzo(b,e)(1,4)diazepin-11-one, 5,10-dihydro-5-(2-(diethylamino)ethyl)-10-(3-(dimethylamino)propyl)-, dihydrochlorideRefChem:236263
Database identifiers
- CAS
67195-39-5- PubChem CID
- 49422
Properties
Computed structural properties
- Topological polar surface area
- 32.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 507
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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