Basic information
- CAS
110406-61-6- Standard SMILES
Cl.O=c1c2ccccc2c(Cc2ccc(F)cc2)nn1C1CCN(CCCc2ccc(F)cc2)CC1- InChIKey
XMQKPFULKZHAED-UHFFFAOYSA-N- Molecular formula
- C29H30ClF2N3O
- Average molar mass
- 510 g/mol
- Monoisotopic mass
- 509.2045466
Names & identifiers
- Preferred name
- 4-((4-Fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)-propyl)-4-piperidinyl)-1(2H)-phthalazinone hydrochloride
- IUPAC
- 4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one;hydrochloride
- English name
- 4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]-4-piperidyl ]phthalazin-1-one hydrochloride
- Molecular formula
- C29H30ClF2N3O
- Molecular weight
- 0
Names & synonyms
9X302N23MPUNII-9X302N23MP1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)propyl)-4-piperidinyl-, monohydrochlorideDTXSID101492324-((4-Fluorophenyl)methyl)-2-(1-(3-(4-fluorophenyl)-propyl)-4-piperidinyl)-1(2H)-phthalazinone hydrochlorideRefChem:198530DTXCID3071723110406-61-64-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]piperidin-4-yl]phthalazin-1-one;hydrochloride4-[(4-Fluorophenyl)methyl]-2-{1-[3-(4-fluorophenyl)propyl]piperidin-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)4-[(4-fluorophenyl)methyl]-2-[1-[3-(4-fluorophenyl)propyl]-4-piperidyl ]phthalazin-1-one hydrochloride
Database identifiers
- CAS
110406-61-6- PubChem CID
- 60433
- DTXSID
DTXSID10149232- UNII
- 9X302N23MP
Properties
Computed structural properties
- Topological polar surface area
- 35.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 721
Physicochemical properties
- FDA UNII
- 9 X302N23MP · 9X302N23MP
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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