Basic information
- CAS
52942-37-7- Standard SMILES
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CC.Cl- InChIKey
BHKPQZVLIZKSAG-UHFFFAOYSA-N- Molecular formula
- C19H29Cl2N5O
- Average molar mass
- 414.4 g/mol
- Monoisotopic mass
- 413.174916
Names & identifiers
- Preferred name
- 3H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-4,5-diethyl-2,4-dihydro-, hydrochloride (1:1)
- IUPAC
- 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one;hydrochloride
Names & synonyms
Etoperidone hydrochloride57775-22-1AxiominEtoranDepracerEtoninTropeneEtoperidone HClMcN-A-2673-112FSU2FR80JNSC-304398RefChem:1068903
Show more names
260-942-53H-1,2,4-Triazol-3-one, 2-(3-(4-(3-chlorophenyl)-1-piperazinyl)propyl)-4,5-diethyl-2,4-dihydro-, hydrochloride (1:1)Staff52942-37-7Etoperidone hydrochloride [USAN]Etoperidone (hydrochloride)ST-1191ST 1191 HCl
Database identifiers
- CAS
52942-37-7、57775-22-1- PubChem CID
- 65472
- DTXSID
DTXSID30967410- ChEMBL
CHEMBL3085482- UNII
- 2FSU2FR80J
- EC Number
- 258-268-1、260-942-5
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 506
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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