Basic information
- CAS
111380-36-0- Standard SMILES
CCN(CC)CC(O)CNc1ncc(C)c2c1c1cc(O)ccc1n2C.Cl.Cl- InChIKey
ZJYJBBOONJZZBE-UHFFFAOYSA-N- Molecular formula
- C20H30Cl2N4O2
- Average molar mass
- 429.4 g/mol
- Monoisotopic mass
- 428.1745816
Names & identifiers
- Preferred name
- 1-(3-Diethylamino-2-hydroxypropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochloride
- IUPAC
- 1-[[3-(diethylamino)-2-hydroxypropyl]amino]-4,5-dimethylpyrido[4,3-b]indol-8-ol;dihydrochloride
Names & synonyms
111380-36-01-(3-Diethylamino-2-hydroxypropyl)amino-4,5-dimethyl-5H-pyrido(4,3-b)indole dihydrochlorideDTXSID409121331-{[3-(Diethylamino)-2-hydroxypropyl]amino}-4,5-dimethyl-5H-pyrido[4,3-b]indol-8-ol--hydrogen chloride (1/2)
Database identifiers
- CAS
111380-36-0- PubChem CID
- 183294
- DTXSID
DTXSID40912133
Properties
Computed structural properties
- Topological polar surface area
- 73.6 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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