Centphenaquin
Basic information
- CAS
98459-16-6- Standard SMILES
Cl.Cl.c1ccc(N2CCN(c3c4c(nc5ccccc35)CCCCC4)CC2)cc1- InChIKey
NCTHSHSIWQKXLV-UHFFFAOYSA-N- Molecular formula
- C24H29Cl2N3
- Average molar mass
- 430.4 g/mol
- Monoisotopic mass
- 429.1738533
Overview
RN refers to di-HCl; structure in first source
Names & identifiers
- Preferred name
- Centphenaquin
- IUPAC
- 11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline;dihydrochloride
- English name
- centphenaquin
- Molecular formula
- C24H28ClN3
- Molecular weight
- 393.96
Names & synonyms
Centphenaquin98459-16-68WS9JX56VRDTXSID502435816H-Cyclohepta(b)quinoline, 7,8,9,10-tetrahydro-11-(4-phenyl-1-piperazinyl)-, dihydrochloride6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-(4-phenyl-1-piperazinyl)-, dihydrochlorideRefChem:124341DTXCID8016607211-(N(4)-phenylpiperazine)-7,8,9,10-tetrahydro-6H-cyclohepta(b)quinoline dihydrochlorideCentphenaquin dihydrochloride7,8,9,10-Tetrahydro-11-(4-phenyl-1-piperazinyl)-6H-cyclohepta(b)quinoline dihydrochloride11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline;dihydrochloride
Show more names
11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline
11-(4-phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline,dihydrochloride11-(4-Phenylpiperazin-1-yl)-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinoline--hydrogen chloride (1/2)6H-Cyclohepta[b]quinoline, 7,8,9,10-tetrahydro-11-(4-phenyl-1-piperazinyl)-, hydrochloride (1:2)
Database identifiers
- CAS
98459-16-6- PubChem CID
- 57400
- DTXSID
DTXSID50243581- UNII
- 8WS9JX56VR
Properties
Computed structural properties
- Topological polar surface area
- 19.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 466
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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