Basic information
- CAS
111380-40-6- Standard SMILES
Cc1cnc(NCCCN2CCCC2)c2c3cc(O)ccc3n(C)c12.Cl.Cl- InChIKey
LAUQVSZAKNBISB-UHFFFAOYSA-N- Molecular formula
- C20H28Cl2N4O
- Average molar mass
- 411.4 g/mol
- Monoisotopic mass
- 410.1640169
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride
- IUPAC
- 4,5-dimethyl-1-(3-pyrrolidin-1-ylpropylamino)pyrido[4,3-b]indol-8-ol;dihydrochloride
Names & synonyms
5H-Pyrido(4,3-b)indol-8-ol, 4,5-dimethyl-1-((3-(1-pyrrolidinyl)propyl)amino)-, dihydrochloride111380-40-6DTXSID801496281-(Butylaminopropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochloride4,5-Dimethyl-1-{[3-(pyrrolidin-1-yl)propyl]amino}-5H-pyrido[4,3-b]indol-8-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
111380-40-6- PubChem CID
- 183299
- DTXSID
DTXSID80149628
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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