Basic information
- CAS
111380-28-0- Standard SMILES
CCN(CC)CCCNc1ncc(C)c2c1c1cc(O)ccc1n2C.Cl.Cl- InChIKey
ZFTQYBZCGAFRSI-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N4O
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 412.179667
Names & identifiers
- Preferred name
- 5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(diethylamino)propyl)amino)-4,5-dimethyl-, dihydrochloride
- IUPAC
- 1-[3-(diethylamino)propylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol;dihydrochloride
Names & synonyms
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(diethylamino)propyl)amino)-4,5-dimethyl-, dihydrochloride111380-28-0DTXSID001496201-(3-Diethylaminopropyl)amino-4,5-dimethyl-8-hydroxy-5H-pyrido(4,3-b)indole dihydrochloride1-{[3-(Diethylamino)propyl]amino}-4,5-dimethyl-5H-pyrido[4,3-b]indol-8-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
111380-28-0- PubChem CID
- 183283
- DTXSID
DTXSID00149620
Properties
Computed structural properties
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 417
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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