Basic information
- CAS
111380-33-7- Standard SMILES
COc1ccc2c(c1)c1c(NCC(C)CN(C)C)ncc(C)c1n2C.Cl.Cl- InChIKey
UXWSWSLVKNGGCH-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N4O
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.179667
Names & identifiers
- Preferred name
- 1-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochloride
- IUPAC
- N'-(8-methoxy-4,5-dimethylpyrido[4,3-b]indol-1-yl)-N,N,2-trimethylpropane-1,3-diamine;dihydrochloride
Names & synonyms
111380-33-71-(3-Dimethylamino-2-methylpropyl)amino-4,5-dimethyl-8-methoxy-5H-pyrido(4,3-b)indole dihydrochlorideDTXSID809121321,3-Propanediamine, N'-(8-methoxy-4,5-dimethyl-5H-pyrido(4,3-b)indol-1-yl)-N,N,2-trimethyl-, dihydrochloride3-[(8-Methoxy-4,5-dimethyl-2,5-dihydro-1H-pyrido[4,3-b]indol-1-ylidene)amino]-N,N,2-trimethylpropan-1-amine--hydrogen chloride (1/2)
Database identifiers
- CAS
111380-33-7- PubChem CID
- 183290
- DTXSID
DTXSID80912132
Properties
Computed structural properties
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 432
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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