Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride
Basic information
- CAS
19701-62-3- Standard SMILES
CN(C)CCCN1Cc2cccc3c2C(C1)c1ccccc1CC3.Cl.Cl- InChIKey
ACABZNHQSFCNGC-UHFFFAOYSA-N- Molecular formula
- C22H30Cl2N2
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 392.1786044
Names & identifiers
- Preferred name
- Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride
- IUPAC
- 3-(16-azatetracyclo[8.7.1.02,7.014,18]octadeca-2,4,6,10(18),11,13-hexaen-16-yl)-N,N-dimethylpropan-1-amine;dihydrochloride
Names & synonyms
Benzo(6,7)cyclohept(1,2,3-de)isoquinoline, 1,2,3,7,8,12b-hexahydro-2-(3-(dimethylamino)propyl)-, dihydrochloride19701-62-3RefChem:326032DTXSID40941463N,N-Dimethyl-3-(3,7,8,12b-tetrahydrobenzo[6,7]cyclohepta[1,2,3-de]isoquinolin-2(1H)-yl)propan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
19701-62-3- PubChem CID
- 209302
- DTXSID
DTXSID40941463
Properties
Computed structural properties
- Topological polar surface area
- 6.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 407
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Related reactions
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Compound notes
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